SCHEMBL493616

SCHEMBL493616

[CH]1C=CSc2ccccc21

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.30

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
SCHEMBL348197 0.78
SCHEMBL28340660 0.76
Water SCHEMBL19745732 0.76
Water SCHEMBL19744946 0.76
SCHEMBL2937188 0.68 ACHE (0.36)
Acetic Acid SCHEMBL11657145 0.68 NOX1 (0.33)
SCHEMBL5622867 0.67
SCHEMBL6199756 0.66
SCHEMBL22639059 0.65
SCHEMBL27596722 0.65 TRPA1 (0.39) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2702043-A1 INHIBITORS OF INDUCIBLE FORM OF 6-PHOSPHOFRUCTOSE-2-KINASE Exelixis, Inc. (US) 2014-03-05 EP claimed
WO-2012149528-A1 INHIBITORS OF INDUCIBLE FORM OF 6-PHOSPHOFRUCTOSE-2-KINASE EXELIXIS, INC. (US) 2012-11-01 WO claimed
EP-1397137-A4 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP claimed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP claimed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO claimed
US-20230180756-A1 TRIAZINE AND PYRIMIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-15 US disclosed
US-9686985-B2 Fungicide N-cycloalkyl-N-bicyclicmethylene-carboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
US-20160366885-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLICMETHYLENE-CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH 2016-12-22 US disclosed
US-9468211-B2 Fungicide N-cycloalkyl-N-bicyclicmethylene-carboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-10-18 US disclosed
US-20150327548-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLICMETHYLENE-CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-19 US disclosed
EP-2831048-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLICMETHYLENE-CARBOXAMIDE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2015-02-04 EP disclosed
WO-2013144086-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLICMETHYLENE-CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 WO disclosed
US-8106051-B2 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI SHIONOGI & CO., LTD. (JP) 2012-01-31 US disclosed
US-7429593-B2 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2008-09-30 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US disclosed
US-20040235888-A1 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2004-11-25 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 (5 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-20230180756-A1 TRIAZINE AND PYRIMIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS TPMT, TYMP, TPI1 TRPA1 1295/4885
US-20160366885-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLICMETHYLENE-CARBOXAMIDE DERIVATIVES CBR3, CNPY2, CYP51A1 TRPA1 883/4885
US-20150327548-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLICMETHYLENE-CARBOXAMIDE DERIVATIVES CBR3, CNPY2, CYP51A1 TRPA1 883/4885
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI APOL1, PON1, APOB TRPA1 1752/4885
US-20040235888-A1 Utilities of amide compounds APOB, NR1H2, APOL1 TRPA1 2450/4885

“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.