SCHEMBL111874

SCHEMBL111874

NCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.56
IDO1 P14902 2/20 0.52
TSHR P16473 1/20 0.50
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
TAAR1 Q96RJ0 3/20 0.43
LOXL2 Q9Y4K0 2/20 0.41
LOX P28300 1/20 0.41
LOXL3 P58215 1/20 0.41
MAOB P27338 4/20 0.41
CSNK2A1 P68400 2/20 0.41
CSNK2B P67870 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
NOTUM Q6P988 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL625883 0.94 PNMT (0.56) PNMTIDO1TSHRTP53CYP3A4
SCHEMBL29897365 0.87 PNMT (0.46) PNMTIDO1TSHRTP53CYP3A4
SCHEMBL29184213 0.87 TAAR1 (0.54) PNMTIDO1TSHRTAAR1MAOB
SCHEMBL1363469 0.87 PNMT (0.46) PNMTIDO1TSHRTP53CYP3A4
SCHEMBL4349721 0.84 CYP3A4 (0.57) PNMTIDO1TSHRTP53CYP3A4
SCHEMBL2451874 0.82 PNMT (0.46) PNMTIDO1TSHRCYP3A4TAAR1
SCHEMBL4335695 0.82 PNMT (0.46) PNMTIDO1CYP3A4TAAR1LOXL2
SCHEMBL14464883 0.82 PNMT (0.46) PNMTIDO1TAAR1LOXL2LOX
SCHEMBL20844630 0.82 PNMT (0.46) PNMTIDO1TSHRTP53CYP3A4
SCHEMBL1765201 0.82 PNMT (0.46) PNMTIDO1TAAR1LOXL2LOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118126023-B Pyrazole amide compound as well as preparation method and application thereof 安徽中医药大学 2025-04-11 CN claimed
CN-119462392-A Preparation method of 3, 5-dichloroaniline 上海交通大学 2025-02-18 CN claimed
CN-118126023-A Pyrazole amide compound as well as preparation method and application thereof 安徽中医药大学 2024-06-04 CN claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US claimed
CN-115028597-B Method for preparing benzoxazole derivative by TEMPO continuous dehydrocyclization and application 闽都创新实验室 2024-03-26 CN claimed
CN-117510429-A Compound containing methyl isoxazole structure, and preparation method and application thereof 中国农业大学 2024-02-06 CN claimed
CN-115286591-B Synthesis method of drug Tafamidis 湖南第一师范学院 2023-10-20 CN claimed
CN-115286591-A Synthetic method of drug Tafamidis 湖南第一师范学院 2022-11-04 CN claimed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US claimed
EP-3351104-B1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER AZEVAN PHARMACEUTICALS INC (US) 2020-12-09 EP claimed
CN-103108628-A Formulations for infusion of type B lantibiotics NOVACTA BIOSYSTEMS LTD 2013-05-15 CN claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP claimed
CN-101410366-A Substituted bicyclic ring derivatives and uses thereof ASAHI KASEI PHARMA CORP (JP) 2009-04-15 CN claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
EP-1519932-B1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LTD (GB) 2007-10-03 EP claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US claimed
US-5853933-A Photoconductive member and perylene processes XEROX CORPORATION (US) 1998-12-29 US 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R PNMT 3102/4885IDO1 481/4885TSHR 1642/4885
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT PNMT 560/4885IDO1 3872/4885TSHR 4856/4885
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 PNMT 1891/4885IDO1 2053/4885TSHR 1654/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B PNMT 137/4885IDO1 2561/4885TSHR 552/4885

“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.