SCHEMBL1664376

SCHEMBL1664376

N#CSc1ccccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
APOBEC3G Q9HC16 1/20 0.54
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 6/20 0.50
MAP2K1 Q02750 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAP2K2 P36507 2/20 0.50
LMNA P02545 2/20 0.50
RAF1 P04049 1/20 0.50
BRAF P15056 1/20 0.50
AKT1 P31749 1/20 0.50
MAPK14 Q16539 1/20 0.50
MAPKAPK5 Q8IW41 1/20 0.50

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
Acetonitrile SCHEMBL1027021 0.94 CYP3A4 (0.48) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL10801406 0.82 USP2 (0.42) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL8763537 0.82 USP2 (0.42) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL9751834 0.73 USP2 (0.37) MAPTMEN1KMT2ANPSR1CYP3A4
SCHEMBL3307820 0.73 USP2 (0.37) MAPTMEN1KMT2ANPSR1CYP3A4
SCHEMBL11373902 0.73 USP2 (0.47) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL11346446 0.73 MEN1 (0.52) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL10640406 0.72
SCHEMBL11173991 0.72 USP2 (0.56) MAPTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL25142154 0.71 MYC (0.40) MAPTCYP3A4CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0073965-B1 DYES OF THE PHTALOCYANINE SERIES, THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1984-10-10 EP claimed
US-4461622-A Dyestuffs of the phthalocyanine series, their preparation and their use on cellulose CASSELLA AKTIENGESELLSCHAFT (DE) 1984-07-24 US claimed
EP-0004606-B1 PROCESS FOR PREPARING ANILINE COMPOUNDS ETHYL CORPORATION (US) 1982-03-10 EP claimed
CN-111741951-B Amide compound or salt thereof, agricultural/horticultural fungicide containing the same, and method for using the same 日本农药株式会社 2023-08-18 CN disclosed
US-20230203081-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-29 US disclosed
CN-107426999-B Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2023-01-20 CN disclosed
CN-114144419-A Oxazepinotrienone derivative, agricultural or horticultural insecticide containing the derivative, and method of using the same 日本农药株式会社 2022-03-04 CN disclosed
US-8466321-B2 4-(trichloromethylthio) anilines, method for production thereof, and method for producing 4-(trifluoromethylthio) anilines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-18 US disclosed
EP-2174929-B1 4-(TRICHLOROMETHYLTHIO)ANILINE, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO)ANILINE SUMITOMO CHEMICAL CO (JP) 2013-03-27 EP disclosed
US-8399707-B2 4-(trichloromethylthio) anilines, method for production thereof, and method for producing 4-(trifluoromethylthio) anilines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-20120245388-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES SUMITOMO CHEMICAL COMPANY, LIMITED 2012-09-27 US disclosed
US-20070203167-A1 2-(Hetero)-aryl substituted tetrahydrochinoline MERCK PATENT GMBH (DE) 2007-08-30 US disclosed
EP-1761515-A1 2-(HETERO-)ARYL SUBSTITUTED TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GmbH (DE) 2007-03-14 EP disclosed
WO-2005063735-A1 2-(HETERO)-ARYL-SUBSTITUTED TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2005-07-14 WO disclosed
US-20050031528-A1 Carbon black UBS LIMITED (GB) 2005-02-10 US disclosed
US-6689909-B1 TREATMENT OF DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF DIABETES MELLITUS, PERIPHERAL VASCULAR DISEASE AND MYOCARDIAL ISCHAEMIA ASTRAZENECA AB (SE) 2004-02-10 US disclosed
US-4461622-A Dyestuffs of the phthalocyanine series, their preparation and their use on cellulose CASSELLA AKTIENGESELLSCHAFT (DE) 1984-07-24 US disclosed
US-4331817-A SULFIDING IN THE PRESENCE OF HALOGENS MINNESOTA MINING AND MANUFACTURING CO. (US) 1982-05-25 US disclosed
US-4111879-A RESIN AND AN N-ARYL-MALEIMIDE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1978-09-05 US disclosed
US-3998801-A MONOAZO DYES; POLYAMIDES; RED TO VIOLET SHADES EASTMAN KODAK COMPANY (US) 1976-12-21 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-20120245388-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES PFAS, AFF4, ACSL4 MAPT 2366/4885MEN1 3764/4885KMT2A 1121/4885
US-20070203167-A1 2-(Hetero)-aryl substituted tetrahydrochinoline NCOR1, CCNT2, NCOR2 MAPT 3898/4885MEN1 576/4885KMT2A 644/4885
US-20230203081-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF NPEPPS, TLR7, ASNS MAPT 2283/4885MEN1 3882/4885KMT2A 2871/4885

“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.