SCHEMBL161859

SCHEMBL161859

Cc1ccc(Cl)c(N=C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 3/20 0.45
TRPA1 O75762 1/20 0.44
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
GABRA1 P14867 3/20 0.34
GABRB2 P47870 2/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
ALKBH3 Q96Q83 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
CLCN2 P51788 1/20 0.33
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32

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
SCHEMBL3841180 0.84 CYP3A4 (0.45) MAPK1TDP1CYP3A4TRPA1ALDH1A1
SCHEMBL645833 0.81 CYP3A4 (0.50) MAPK1TDP1CYP3A4TRPA1ALDH1A1
SCHEMBL30519851 0.81 CYP3A4 (0.50) MAPK1TDP1CYP3A4TRPA1ALDH1A1
SCHEMBL2697378 0.80 ALDH1A1 (0.33) MAPK1TDP1CYP3A4ALDH1A1HPGD
SCHEMBL785906 0.79 TDP1 (0.50) MAPK1TDP1CYP3A4TRPA1ALDH1A1
SCHEMBL2489721 0.79 CYP3A4 (0.48) MAPK1TDP1CYP3A4TRPA1ALDH1A1
SCHEMBL29507682 0.79 TDP1 (0.50) MAPK1TDP1CYP3A4TRPA1ALDH1A1
SCHEMBL31597 0.79 CYP3A4 (0.68) MAPK1TDP1CYP3A4TRPA1ALDH1A1
SCHEMBL13719391 0.79 CYP3A4 (0.57) MAPK1TDP1CYP3A4TRPA1ALDH1A1
SCHEMBL15086587 0.78 MAPK1 (0.34) MAPK1TDP1ALDH1A1HPGDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115386245-A Preparation method and application of lipophilic carbon nitride nanosheet 浙江理工大学 2022-11-25 CN claimed
CN-101356165-A Process for preparing gemcitabine and related intermediates CHEMAGIS LTD (IL) 2009-01-28 CN 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-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
CN-114380874-B Macrolide antibiotics, preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-06-21 CN disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
EP-4298140-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-01-03 EP disclosed
CN-112020525-B Adducts of amine catalysts for preparing isocyanurate polymers 科思创知识产权两合公司 2023-05-16 CN disclosed
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-12-04 US disclosed
WO-2003080625-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-10-02 WO disclosed
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-09-25 US disclosed
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed
US-4174398-A Combating fungi with 1-alkyl-1-(1,3,4-thiadiazol-2-yl)-3-phenyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1979-11-13 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 (3 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 MAPK1 4251/4885TDP1 311/4885CYP3A4 535/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK MAPK1 212/4885TDP1 613/4885CYP3A4 2280/4885
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK MAPK1 185/4885TDP1 653/4885CYP3A4 2316/4885

“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.