SCHEMBL310796

SCHEMBL310796

C1=Nc2ccccc2N=C2CNC=C12

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 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
SCHEMBL1421654 0.60 TRPA1 (0.32) TRPA1
SCHEMBL29640568 0.60 RXFP1 (0.57)
SCHEMBL9926022 0.58 TRPA1 (0.58) TRPA1
SCHEMBL5668189 0.57 MAPT (0.47)
SCHEMBL1398081 0.53 TRPA1 (0.41) TRPA1
SCHEMBL29546867 0.53 TRPA1 (0.41) TRPA1
SCHEMBL5021700 0.53 NOS3 (0.46) TRPA1
SCHEMBL11831867 0.53 TRPA1 (0.34) TRPA1
SCHEMBL29633894 0.53
SCHEMBL9926021 0.53 TRPA1 (0.58) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230094176-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENT AB (SE) 2023-03-30 US disclosed
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB (SE) 2021-03-04 US disclosed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9636298-B2 Prodrugs of compounds that enhance antifungal activity and compositions of said prodrugs METHYLGENE INC (CA) 2017-05-02 US disclosed
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENT AB (SE) 2017-01-26 US disclosed
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 US disclosed
EP-2966078-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2016-01-13 EP disclosed
US-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
US-20060189674-A1 Deacetylase inhibitors SECURA BIO, INC. 2006-08-24 US disclosed
US-7067551-B2 Deacetylase inhibitors NOVARTIS AG (CH) 2006-06-27 US disclosed
US-20050085507-A1 p-phenylethenyl hydroxamates; anticarcinogenic, antitumor, antiproliferative agents; regulating p21 promoter; improved stability SECURA BIO, INC. 2005-04-21 US disclosed
WO-2005013958-A1 HISTONE DEACETYLASE INHIBITORS AS IMMUNOSUPPRESSANTS NOVARTIS AG (CH) 2005-02-17 WO disclosed
US-20050032899-A1 Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination NOVARTIS AG (CH) 2005-02-10 US disclosed
US-6833384-B2 E. g., N-Hydroxy-3-(4-(((2-(1H-indol-3-yl)-ethyl)amino)-amino)methyl)-phenyl)-2E-2 -propenamide; histone deacetylase inhibitors; antiproliferative agents; antitumor agents; anticarcinogenic agents NOVARTIS AG (CH) 2004-12-21 US disclosed
US-20040024067-A1 Deacetylase inhibitors ATHYRIUM OPPORTUNITIES III ACQUISITION LP 2004-02-05 US disclosed
US-6552065-B2 Antiproliferative agents NOVARTIS AG (CH) 2003-04-22 US disclosed
US-20030018062-A1 Deacetylase inhibitors SECURA BIO, INC. 2003-01-23 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 (11 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-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 TRPA1 4150/4885
US-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 TRPA1 4872/4885
US-20050085507-A1 p-phenylethenyl hydroxamates; anticarcinogenic, antitumor, antiproliferative agents; regulating p21 promoter; improved stability TP53, CDKN1A, HDAC1 TRPA1 3827/4885
US-20040024067-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 TRPA1 4685/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 TRPA1 4876/4885
US-20050032899-A1 Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination HDAC2, HDAC9, HDAC1 TRPA1 1723/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 TRPA1 3715/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 TRPA1 4150/4885
US-20060189674-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 TRPA1 4685/4885
US-20230094176-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC2, HDAC1 TRPA1 4321/4885
US-20030018062-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 TRPA1 4685/4885

“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.