Iodobenzene

Iodobenzene

SCHEMBL205033

Cl.Cl.Ic1ccccc1.Ic1ccccc1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Iodobenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 known ✓ Q9BY41 4/20 0.39
ACHE known ✓ P22303 2/20 0.38
CA2 known ✓ P00918 2/20 0.35
GLA known ✓ P06280 1/20 0.35
ALDH1A1 P00352 4/20 0.40
APP P05067 1/20 0.40
TPMT P51580 1/20 0.38
TSHR P16473 5/20 0.38
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
ALOX12 P18054 3/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Iodobenzene SCHEMBL2250668 1.00
Iodobenzene SCHEMBL205035 1.00
Iodobenzene SCHEMBL28210359 0.96
Iodobenzene SCHEMBL10538620 0.96 ALDH1A1 (0.43) ALDH1A1APPHDAC8TPMTTSHR
Iodobenzene SCHEMBL3628957 0.96
Iodobenzene SCHEMBL1587 0.96
Iodobenzene SCHEMBL10481785 0.96 ALDH1A1 (0.43) ALDH1A1APPHDAC8TPMTTSHR
Iodobenzene SCHEMBL1331855 0.96
Iodobenzene SCHEMBL28043342 0.93 TSHR (0.39) ALDH1A1APPHDAC8TPMTTSHR
Iodobenzene SCHEMBL10616506 0.92

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 416 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994170-A Process for preparing 1' -cyanonucleosides 吉利德科学公司 2024-11-22 CN claimed
US-12110271-B2 Manufacturing method for 4-methoxypyrrole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2024-10-08 US claimed
US-12012431-B2 Methods of preparing 1′-cyano nucleosides GILEAD SCIENCES, INC. (US) 2024-06-18 US claimed
CN-117603275-A Preparation method of polyketone catalyst and application of polyketone catalyst in catalyzing polyketone synthesis 万华化学集团股份有限公司 2024-02-27 CN claimed
US-20230295214-A1 METHODS OF PREPARING 1`-CYANO NUCLEOSIDES GILEAD SCIENCES, INC. 2023-09-21 US claimed
WO-2023007426-A1 NOVEL STYRENE COMPOUNDS AND A PROCESS FOR THE PREPARATION THEREOF PI INDUSTRIES LTD. (IN) 2023-02-02 WO claimed
WO-2023007429-A1 PREPARATION OF PHENYL SULFILIMINES OR SULFOXIMINES CONTAINING THIAZOLYL-PIPERIDINYL COMPOUNDS AND INTERMEDIATES THEREOF PI INDUSTRIES LTD. (IN) 2023-02-02 WO claimed
CN-115298181-A Process for preparing 1' -cyanonucleosides 吉利德科学公司 2022-11-04 CN claimed
US-20210309689-A1 METHODS OF PREPARING 1'-CYANO NUCLEOSIDES GILEAD SCIENCES, INC. 2021-10-07 US claimed
EP-3854784-A1 METHOD FOR PRODUCING 4-METHOXY PYRROLE DERIVATIVE Daewoong Pharmaceutical Co., Ltd. (KR) 2021-07-28 EP claimed
EP-0124278-A2 Improved process for the manufacture of halogenated polymers EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-11-07 EP claimed
EP-0002564-B1 DERIVATIVES OF 7-OXO-1-AZABICYCLO(3.2.0)-HEPT-2-ENE-2-CARBOXYLIC ACID, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES BEECHAM GROUP PLC (GB) 1984-06-20 EP claimed
US-4358607-A CHLORINATION, DEHYDROCHLORINATION, HYDROLYSIS AMERICAN CYANAMID CO. (US) 1982-11-09 US claimed
EP-0005523-B1 D-HOMOSTEROIDS, PROCESS FOR THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-08-26 EP claimed
EP-0003863-B1 NOVEL ANDROSTADIENES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Technobiotic Ltd. (CH) 1981-07-22 EP claimed
EP-0003863-A1 Novel androstadienes, processes for their preparation and pharmaceutical compositions containing them Technobiotic Ltd. (CH) 1979-09-05 EP claimed
EP-0002564-A1 Derivatives of 7-oxo-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid, their preparation, pharmaceutical compositions containing them and intermediates BEECHAM GROUP PLC (GB) 1979-06-27 EP claimed
US-4100201-A Process for the preparation of halogenoacetals from esters RHONE-POULENC INDUSTRIES (FR) 1978-07-11 US claimed
US-4087465-A Process for the preparation of halogeno-acetals from enoxysilanes RHONE-POULENC INDUSTRIES (FR) 1978-05-02 US claimed
US-4061661-A Δ9(11) -5α-20-KETO STEROIDS AND PROCESS FOR THEIR PRODUCTION SCHERING AKTIENGESELLSCHAFT (DT) 1977-12-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12012431-B2 Methods of preparing 1′-cyano nucleosides PNP, TYMP, RNGTT HDAC8 3619/4885ACHE 1718/4885CA2 3026/4885
US-20230295214-A1 METHODS OF PREPARING 1`-CYANO NUCLEOSIDES PNP, TYMP, DUT HDAC8 3671/4885ACHE 1406/4885CA2 3089/4885
US-12110271-B2 Manufacturing method for 4-methoxypyrrole derivatives COMT, TH, HPD HDAC8 4872/4885ACHE 1320/4885CA2 4359/4885
US-20210309689-A1 METHODS OF PREPARING 1'-CYANO NUCLEOSIDES PNP, TYMP, DUT HDAC8 3667/4885ACHE 1631/4885CA2 2966/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.