SCHEMBL3774110

SCHEMBL3774110

O=S(=O)([O-])CCCCN1c2ccccc2Sc2ccccc21.[Na+]

nearest known ligand 0.58

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. 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
▸ SCN1A known ✓ P35498 1/20 0.51
▸ PDE3A known ✓ Q14432 1/20 0.51
▸ SCN2A known ✓ Q99250 1/20 0.51
▸ SCN3A known ✓ Q9NY46 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ DUSP3 P51452 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ PIM1 P11309 1/20 0.58
▸ KDM1A O60341 11/20 0.51
▸ SIGMAR1 Q99720 2/20 0.51
▸ SLC22A1 O15245 1/20 0.51
▸ PRNP P04156 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ ADRB2 P07550 1/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ CHRM4 P08173 1/20 0.51
▸ HTR1A P08908 1/20 0.51

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
SCHEMBL30611012 0.95 KDM4E (0.62) KDM4ECYP2C9HPGDDUSP3L3MBTL1
SCHEMBL48846 0.95 KDM4E (0.62) KDM4ECYP2C9HPGDDUSP3L3MBTL1
Lithium Ion SCHEMBL18104080 0.92 KDM4E (0.59) KDM4ECYP2C9HPGDDUSP3L3MBTL1
Pyrazine SCHEMBL9102227 0.89 KDM4E (0.57) KDM4ECYP2C9HPGDDUSP3L3MBTL1
SCHEMBL49291 0.83 PIM1 (0.59) KDM4EHPGDL3MBTL1PIM1KDM1A
SCHEMBL31384188 0.83 PIM1 (0.59) KDM4EHPGDL3MBTL1PIM1KDM1A
SCHEMBL3774114 0.82 PIM1 (0.58) KDM4EHPGDL3MBTL1PIM1KDM1A
SCHEMBL208025 0.80 PIM1 (0.79) KDM4EPIM1KDM1ASIGMAR1SLC22A1
SCHEMBL30115197 0.78 MEN1 (0.58) KDM4EHPGDL3MBTL1PIM1KDM1A
SCHEMBL48681 0.78 MEN1 (0.58) KDM4EHPGDL3MBTL1PIM1KDM1A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11112366-B2 Reagent and kit for enhancing chemiluminescent reaction NATIONAL TAIWAN OCEAN UNIVERSITY (TW) 2021-09-07 — — US claimed
US-20200309707-A1 REAGENT AND KIT FOR ENHANCING CHEMILUMINESCENT REACTION NATIONAL TAIWAN OCEAN UNIVERSITY (TW) 2020-10-01 — — US claimed
US-10711185-B2 Reagent and kit for performing chemiluminescent reaction BIO-HELIX CO., LTD. (TW) 2020-07-14 — — US claimed
EP-1950207-B1 Preparation of high purity phenothiazine n-alkylsulfonates and their use in chemiluminescent assays for the measurement of peroxidase activity CYANAGEN SRL (IT) 2012-06-20 — — EP claimed
US-7855287-B2 Preparation of high purity phenothiazine N-alkylsulfonates and their use in chemiluminescent assays for the measurement of peroxidase activity CYANAGEN SRL (IT) 2010-12-21 — — US claimed
EP-1950207-A1 Preparation of high purity phenothiazine n-alkylsulfonates and their use in chemiluminescent assays for the measurement of peroxidase activity Cyanagen Srl (IT) 2008-07-30 — — EP claimed
US-20080176251-A1 Preparation of high purity phenothiazine N-alkylsulfonates and their use in chemiluminescent assays for the measurement of peroxidase acitivity CYANAGEN SRL (IT) 2008-07-24 — — US claimed
US-11112366-B2 Reagent and kit for enhancing chemiluminescent reaction NATIONAL TAIWAN OCEAN UNIVERSITY (TW) 2021-09-07 — — US disclosed
US-20200309707-A1 REAGENT AND KIT FOR ENHANCING CHEMILUMINESCENT REACTION NATIONAL TAIWAN OCEAN UNIVERSITY (TW) 2020-10-01 — — US disclosed
US-10711185-B2 Reagent and kit for performing chemiluminescent reaction BIO-HELIX CO., LTD. (TW) 2020-07-14 — — US disclosed
EP-1950207-B1 Preparation of high purity phenothiazine n-alkylsulfonates and their use in chemiluminescent assays for the measurement of peroxidase activity CYANAGEN SRL (IT) 2012-06-20 — — EP disclosed
US-7855287-B2 Preparation of high purity phenothiazine N-alkylsulfonates and their use in chemiluminescent assays for the measurement of peroxidase activity CYANAGEN SRL (IT) 2010-12-21 — — US disclosed
EP-1950207-A1 Preparation of high purity phenothiazine n-alkylsulfonates and their use in chemiluminescent assays for the measurement of peroxidase activity Cyanagen Srl (IT) 2008-07-30 — — EP disclosed
US-20080176251-A1 Preparation of high purity phenothiazine N-alkylsulfonates and their use in chemiluminescent assays for the measurement of peroxidase acitivity CYANAGEN SRL (IT) 2008-07-24 — — US disclosed

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

For each of this compound's patents that has machine-readable text (2 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-11112366-B2 Reagent and kit for enhancing chemiluminescent reaction MPO, LPO, KIT SCN1A 4683/4885PDE3A 1337/4885SCN2A 4740/4885
US-20080176251-A1 Preparation of high purity phenothiazine N-alkylsulfonates and their use in chemiluminescent assays for the measurement of peroxidase acitivity LPO, ARSA, SULT1E1 SCN1A 312/4885PDE3A 278/4885SCN2A 659/4885

“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.

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