SCHEMBL1021665

SCHEMBL1021665

Cc1c(Cl)cccc1N=C=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.73
POLB P06746 2/20 0.46
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TRPA1 O75762 1/20 0.40
MAPT P10636 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 4/20 0.39
RECQL P46063 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 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
SCHEMBL7534773 0.87 CYP3A4 (0.56) CYP3A4POLBGABRA1GABRB2ALDH1A1
SCHEMBL15092 0.85 CYP3A4 (1.00) CYP3A4GABRA1GABRB2ALDH1A1TRPA1
SCHEMBL1535338 0.83 POLB (0.49) CYP3A4POLBALDH1A1MAPTMEN1
SCHEMBL31356867 0.83 POLB (0.49) CYP3A4POLBALDH1A1MAPTMEN1
SCHEMBL27946613 0.83 CYP3A4 (0.95) CYP3A4GABRA1GABRB2ALDH1A1TRPA1
SCHEMBL8093598 0.82 CYP3A4 (0.50) CYP3A4POLBGABRA1GABRB2ALDH1A1
SCHEMBL945215 0.80 POLB (0.46) CYP3A4POLBGABRA1GABRB2ALDH1A1
SCHEMBL29862583 0.79 CYP3A4 (0.54) CYP3A4GABRA1GABRB2ALDH1A1TRPA1
SCHEMBL93182 0.79 CYP3A4 (0.54) CYP3A4GABRA1GABRB2ALDH1A1TRPA1
SCHEMBL29440559 0.79 CYP3A4 (0.79) CYP3A4GABRA1GABRB2ALDH1A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970562-B1 METHOD FOR THE PREPARATION OF ESPECIALLY PURE TDI TRIMERISATES COVESTRO DEUTSCHLAND AG (DE) 2018-08-08 EP claimed
EP-2970108-B1 PROCESS FOR THE PREPARATION OF LIGHTLY COLOURED TDI POLYISOCYANATES COVESTRO DEUTSCHLAND AG (DE) 2018-06-27 EP claimed
EP-2970108-A1 METHOD FOR PRODUCING LIGHT-COLOURED TDI-POLYISOCANTES Covestro Deutschland AG (DE) 2016-01-20 EP claimed
WO-2014139873-A1 METHOD FOR PRODUCING LIGHT-COLOURED TDI-POLYISOCANTES BAYER MATERIALSCIENCE AG (DE) 2014-09-18 WO claimed
US-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-10-25 US claimed
WO-2007070804-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-06-21 WO claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
EP-0040793-A1 Novel quinazoline-dione compounds, process for production thereof and pharmaceutical use thereof Ishikawa, Masayuki (JP) 1981-12-02 EP disclosed
US-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US disclosed
US-4046909-A Pyrrolidylidene, piperidylidene and hexahydroazepinylidene ureas as CNS depressants MCNEIL LABORATORIES, INCORPORATED (US) 1977-09-06 US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 US disclosed
US-3998958-A Pyrrolidylidene, piperidylidene and hexahydroazepinylidene ureas as CNS depressants MCNEIL LABORATORIES, INCORPORATED (US) 1976-12-21 US disclosed
US-3976785-A Dioxocyclohexanecarboxanilide insecticides and acaricides AMERICAN CYANAMID COMPANY (US) 1976-08-24 US disclosed
US-3961061-A INSECTICIDES, FUNGICIDES, BACTERICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-06-01 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-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES DPYD, PARP1, PARP2 CYP3A4 535/4885POLB 78/4885GABRA1 4343/4885
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS UPF1, NSUN2, RTF2 CYP3A4 3128/4885POLB 595/4885GABRA1 3451/4885

“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.