SCHEMBL822992

SCHEMBL822992

[C-]#[N+]c1ccc(CBr)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
CES2 O00748 1/20 0.35
CES1 P23141 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
SCHEMBL11037726 0.78 GFER (0.41)
SCHEMBL9331806 0.78 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL131361 0.76 ALDH1A1 (0.67) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL409015 0.76 HDAC3 (0.32)
SCHEMBL10048326 0.74 TRPA1 (0.43) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL9888590 0.74 TP53 (0.43) TRPA1ALDH1A1TSHR
SCHEMBL13201375 0.74 TSHR (0.43) ALDH1A1TSHR
SCHEMBL12933493 0.72 LPL (0.46) ALDH1A1
SCHEMBL12595182 0.72 TRPA1 (0.42) TRPA1ALDH1A1TSHR
SCHEMBL9969769 0.70 CA2 (0.52) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
US-11702404-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-20230183182-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-06-15 US disclosed
US-10030066-B2 Immune receptor modifier conjugate and preparation method and use thereof, coupling precursor for preparing same, and compound for synthesizing coupling precursor SHENZHEN UNIVERSITY (CN) 2018-07-24 US disclosed
US-9868748-B2 Thiazolopyrrolidine inhibitors of ROR- γ VITAE PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-20170260180-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-09-14 US disclosed
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
US-9663482-B2 Substituted piperazinyl acetohydrazide procaspase-activating compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-30 US disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20100190997-A1 Process for the Preparation of Letrozole CADILA HEALTHCARE LIMITED (IN) 2010-07-29 US disclosed
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US disclosed
US-7550494-B2 Small molecules useful in the treatment of inflammatory disease BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication JANSSEN SCIENCES IRELAND UC (IE) 2008-06-19 US disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 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 (15 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-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, RTF2 TRPA1 4119/4885ALDH1A1 1249/4885TSHR 1965/4885
US-10030066-B2 Immune receptor modifier conjugate and preparation method and use thereof, coupling precursor for preparing same, and compound for synthesizing coupling precursor ADAR, AGER, HAVCR2 TRPA1 3117/4885ALDH1A1 3275/4885TSHR 325/4885
US-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 TRPA1 30/4885ALDH1A1 1535/4885TSHR 2684/4885
US-11702404-B2 GLP-1R modulating compounds GLP1R, GIPR, GPR119 TRPA1 2037/4885ALDH1A1 3556/4885TSHR 120/4885
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS TST, ARSA, STS TRPA1 46/4885ALDH1A1 210/4885TSHR 507/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 TRPA1 30/4885ALDH1A1 1535/4885TSHR 2684/4885
US-20170260180-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA TRPA1 609/4885ALDH1A1 137/4885TSHR 1683/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 TRPA1 30/4885ALDH1A1 1535/4885TSHR 2684/4885
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 TRPA1 4396/4885ALDH1A1 3041/4885TSHR 3952/4885
US-20230348452-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, BRCA1 TRPA1 4761/4885ALDH1A1 2600/4885TSHR 4245/4885
US-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 TRPA1 209/4885ALDH1A1 1999/4885TSHR 681/4885
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 TRPA1 3922/4885ALDH1A1 1218/4885TSHR 3491/4885
US-20100190997-A1 Process for the Preparation of Letrozole CYP19A1, CYP11A1, HSD17B11 TRPA1 4860/4885ALDH1A1 1580/4885TSHR 770/4885
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 TRPA1 2216/4885ALDH1A1 582/4885TSHR 788/4885
US-20230183182-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF P2RX4, P2RX7, P2RX2 TRPA1 5/4885ALDH1A1 817/4885TSHR 3132/4885

“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.