SCHEMBL16647601

SCHEMBL16647601

NCc1cc(-c2ccc(C(F)(F)F)cn2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
KIF11 P52732 1/20 0.40
NPSR1 Q6W5P4 3/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
DAO P14920 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
KDM1A O60341 4/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NOTUM Q6P988 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
CASP3 P42574 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33

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
Hydrochloric Acid SCHEMBL18223606 0.98 TRPA1 (0.39) TRPA1KIF11NPSR1KMT2AKDM4E
SCHEMBL16635112 0.84 TRPA1 (0.42) TRPA1KIF11NPSR1KMT2AKDM4E
SCHEMBL894073 0.83 ABL1 (0.47) TRPA1MAOBABL1BCR
SCHEMBL17979199 0.83 NPC1 (0.33) KMT2ADAONPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL16635453 0.81 ABL1 (0.46) TRPA1MAOBABL1BCR
Hydrochloric Acid SCHEMBL18047668 0.81 NPC1 (0.32) KMT2ADAOMAOBNPC1RAB9A
SCHEMBL16647994 0.79 KIF11 (0.44) TRPA1KIF11NPSR1KMT2AKDM4E
SCHEMBL16634991 0.78 MPL (0.49) TRPA1
SCHEMBL20254164 0.78 ALOX5AP (0.41) TRPA1NOTUM
Hydrochloric Acid SCHEMBL16635204 0.78 KIF11 (0.43) TRPA1KIF11NPSR1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 US disclosed
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 US disclosed
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same EA PHARMA CO., LTD. (JP) 2020-04-21 US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 US disclosed
EP-3055302-B1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS HOFFMANN LA ROCHE (CH) 2018-12-26 EP disclosed
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-10-04 US disclosed
US-20180162844-A1 CYCLOPROPANE DERIVATIVE AND DRUG CONTAINING SAME EA PHARMA CO., LTD. (JP) 2018-06-14 US disclosed
US-20180162844-A1 CYCLOPROPANE DERIVATIVE AND DRUG CONTAINING SAME EA PHARMA CO., LTD. (JP) 2018-06-14 US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
EP-3101015-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA Pharma Co., Ltd. (JP) 2016-12-07 EP disclosed
US-20160332999-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO., LTD. (JP) 2016-11-17 US disclosed
US-20160332999-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO., LTD. (JP) 2016-11-17 US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 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 (8 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-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 TRPA1 1/4885KIF11 4639/4885NPSR1 131/4885
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 TRPA1 1/4885KIF11 4639/4885NPSR1 131/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 TRPA1 1/4885KIF11 4639/4885NPSR1 131/4885
US-20160332999-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME TRPA1, TRPV1, TRPV2 TRPA1 1/4885KIF11 4227/4885NPSR1 120/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 TRPA1 1/4885KIF11 4639/4885NPSR1 131/4885
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same TRPA1, TRPV1, TRPV2 TRPA1 1/4885KIF11 4227/4885NPSR1 120/4885
US-20180162844-A1 CYCLOPROPANE DERIVATIVE AND DRUG CONTAINING SAME TRPA1, TRPV1, TRPV2 TRPA1 1/4885KIF11 4029/4885NPSR1 214/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 TRPA1 1/4885KIF11 4639/4885NPSR1 131/4885

“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.