SCHEMBL98562

SCHEMBL98562

N#Cc1ccccc1[C]=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
USP8 P40818 1/20 0.40
USP7 Q93009 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL29352197 0.85 TSHR (0.63) TSHRCA1CA2MCL1ALDH1A1
Water SCHEMBL19410621 0.85 TSHR (0.63) TSHRCA1CA2MCL1ALDH1A1
SCHEMBL57480 0.85 TSHR (0.63) TSHRCA1CA2MCL1ALDH1A1
SCHEMBL8384 0.85 TSHR (0.35) TSHRCA1CA2ALDH1A1HTT
SCHEMBL2818597 0.85 TSHR (0.63) TSHRCA1CA2MCL1ALDH1A1
Water SCHEMBL27896186 0.85 TSHR (0.63) TSHRCA1CA2MCL1ALDH1A1
SCHEMBL28397671 0.83 TSHR (0.50) TSHRCA1CA2MCL1ALDH1A1
Formaldehyde SCHEMBL28231823 0.82 TSHR (0.55) TSHRCA1CA2MCL1ALDH1A1
SCHEMBL6372765 0.82 TSHR (0.60) TSHRCA1CA2MCL1ALDH1A1
Hydrochloric Acid SCHEMBL8884007 0.82 TSHR (0.60) TSHRCA1CA2MCL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3430022-B1 COMPOUNDS AND METHODS FOR THE SYNTHESIS OF 5-(N-PROTECTED-TRYPTAMINOCARBOXYAMIDE)-2'-DEOXYURIDINE PHOSPHORAMIDITE FOR INCORPORATION INTO A NUCLEIC ACID SEQUENCE SOMALOGIC INC (US) 2020-03-11 EP claimed
CN-109796418-A Phenylalanine derivative and the preparation method and application thereof containing 4- phenyl -1,2,3- triazole 山东大学 2019-05-24 CN claimed
US-20190031702-A1 Compounds and Methods for the Synthesis of 5-(N-Protected-Tryptaminocarboxyamide)-2'-Deoxyuridine Phosphoramidate for Incorporation into a Nucleic Sequence SOMALOGIC, INC. (US) 2019-01-31 US claimed
EP-3430022-A1 COMPOUNDS AND METHODS FOR THE SYNTHESIS OF 5-(N-PROTECTED-TRYPTAMINOCARBOXYAMIDE)-2'-DEOXYURIDINE PHOSPHORAMIDATE FOR INCORPORATION INTO A NUCLEIC SEQUENCE Somalogic, Inc. (US) 2019-01-23 EP claimed
WO-2017160672-A1 COMPOUNDS AND METHODS FOR THE SYNTHESIS OF 5-(N-PROTECTED-TRYPTAMINOCARBOXYAMIDE)-2'-DEOXYURIDINE PHOSPHORAMIDATE FOR INCORPORATION INTO A NUCLEIC SEQUENCE SOMALOGIC, INC. (US) 2017-09-21 WO claimed
US-20110184175-A1 METHOD FOR PRODUCING BSH DERIVATIVE AND BSH DERIVATIVE STELLA PHARMA CORPORATION (JP) 2011-07-28 US claimed
EP-2319849-A1 METHOD FOR PRODUCING BSH DERIVATIVE AND BSH DERIVATIVE Stella Pharma Corporation (JP) 2011-05-11 EP claimed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US claimed
US-7741495-B2 Indoline-sulfonamides compounds TAIPEI MEDICAL UNIVERSITY (TW) 2010-06-22 US claimed
US-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PHOSPHOENIX SARL (FR) 2010-04-22 US claimed
EP-0373663-A2 Castanospermine esters in the inhibition of tumor metastasis MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-20 EP claimed
US-4754034-A RECORDING MATERIALS, PRESSURE SENSITIVE, THERMOREACTIVE, ELECTROCHROMIC BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US claimed
EP-0180813-B1 CHROMOGENIC 4,4-DIARYLDIHYDROCHINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1988-06-01 EP claimed
US-4650868-A 7-deazapurine derivatives useful as antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-03-17 US claimed
EP-0180813-A1 Chromogenic 4,4-diaryldihydrochinazolones, their preparation and use BAYER AG (DE) 1986-05-14 EP claimed
US-4571376-A Color diffusion transfer photographic film unit with 1-M-(methyl or ethyl)phenyl-4-methyl-4-hydroxymethyl pyrazolidinones FUJI PHOTO FILM CO., LTD. (JP) 1986-02-18 US claimed
EP-0066378-B1 PHARMACEUTICAL SPIRO-HYDANTOIN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-02 EP claimed
US-4386100-A COMPLICATIONS OF DIABETES OR GALACTOSEMIA IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-05-31 US claimed
EP-0066378-A1 Pharmaceutical spiro-hydantoin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-08 EP claimed
EP-0058932-A2 4-Aryloxy-1,2,3,4-tetrahydroisoquinolines, and intermediates, a process for preparing the same, a pharmaceutical composition containing the same and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-09-01 EP 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 TSHR 1451/4885CA1 4775/4885CA2 4679/4885
US-20110184175-A1 METHOD FOR PRODUCING BSH DERIVATIVE AND BSH DERIVATIVE CBS, DBH, CTH TSHR 3831/4885CA1 3631/4885CA2 4451/4885
US-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PNP, NANP, PHOSPHO1 TSHR 3165/4885CA1 1129/4885CA2 778/4885
US-20190031702-A1 Compounds and Methods for the Synthesis of 5-(N-Protected-Tryptaminocarboxyamide)-2'-Deoxyuridine Phosphoramidate for Incorporation into a Nucleic Sequence TYMP, TYMS, NT5C2 TSHR 2850/4885CA1 3796/4885CA2 3226/4885

“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.