SCHEMBL893986

SCHEMBL893986

COC(=O)c1cccc2c1Cc1ccccc1NC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.54
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 2/20 0.46
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
ALOX5 P09917 1/20 0.43
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CFTR P13569 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
HSD17B3 P37058 1/20 0.39
KDR P35968 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL13098131 0.89 TRPA1 (0.51) TRPA1HSD17B10ALOX15KDM4EPOLB
SCHEMBL13098116 0.89 TRPA1 (0.54) TRPA1HSD17B10ALOX15KDM4EPOLB
SCHEMBL11855241 0.82 TRPA1 (0.60) TRPA1HSD17B10ALOX15KDM4EPOLB
SCHEMBL13098112 0.81 TRPA1 (0.60) TRPA1HSD17B10ALOX15KDM4EPOLB
SCHEMBL6095089 0.76 TRPA1 (0.48) TRPA1HSD17B10ALOX15KDM4EPOLB
SCHEMBL9486 0.75 TRPA1 (0.57) TRPA1HSD17B10KDM4EPOLBATM
Hydrochloric Acid SCHEMBL6093232 0.75 TRPA1 (0.47) TRPA1HSD17B10ALOX15KDM4EPOLB
Hydrochloric Acid SCHEMBL29877364 0.75 TRPA1 (0.47) TRPA1HSD17B10ALOX15KDM4EPOLB
SCHEMBL11151970 0.75 ALOX5 (0.52) TRPA1HSD17B10KDM4EPOLBATM
SCHEMBL13098115 0.75 ALOX5 (0.55) TRPA1HSD17B10KDM4EPOLBATM

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190038573-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE CLIFF-CARTWRIGHT CORPORATION 2019-02-07 US disclosed
US-20170042834-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE CLIFF-CARTWRIGHT CORPORATION 2017-02-16 US disclosed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
US-8461145-B2 Dibenzoazepine and dibenzooxazepine TRPA1 agonists JANSSEN PHARMACEUTICA NV (BE) 2013-06-11 US disclosed
US-8461145-B2 Dibenzoazepine and dibenzooxazepine TRPA1 agonists JANSSEN PHARMACEUTICA NV (BE) 2013-06-11 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20110124666-A1 3,4-DIHYDROPYRIMIDINE TRPA1 ANTAGONISTS Janssen Pharmaceutica NV a corporation 2011-05-26 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
US-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 US disclosed
US-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 US disclosed
WO-2009147079-A1 3,4-DIHYDROPYRIMIDINE TRPA1 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-12-10 WO disclosed
WO-2009071631-A2 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-11 WO 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-20110124666-A1 3,4-DIHYDROPYRIMIDINE TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV3 TRPA1 1/4885HSD17B10 3134/4885ALOX15 710/4885
US-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS TRPA1, TRPV1, TRPV2 TRPA1 1/4885HSD17B10 1768/4885ALOX15 83/4885
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 TRPA1 1/4885HSD17B10 3348/4885ALOX15 398/4885

“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.