SCHEMBL894073

SCHEMBL894073

NCc1cc(-c2ccc(C(F)(F)F)cc2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
FAAH O00519 1/20 0.45
TRPV1 Q8NER1 4/20 0.42
TRPA1 O75762 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MAOB P27338 1/20 0.40

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 SCHEMBL16635453 0.98 ABL1 (0.46) ABL1BCRFAAHTRPV1TRPA1
SCHEMBL18223798 0.84 ABL1 (0.47) ABL1BCRFAAHTRPV1TRPA1
SCHEMBL16647601 0.83 TRPA1 (0.40) ABL1BCRTRPA1MAOB
SCHEMBL4717327 0.82 ABL1 (0.57) ABL1BCRFAAHTRPV1
Hydrochloric Acid SCHEMBL18223606 0.81 TRPA1 (0.39) ABL1BCRTRPA1MAOB
SCHEMBL3721013 0.80 TRPA1 (0.47) ABL1BCRTRPA1
SCHEMBL3720215 0.80 ABL1 (0.49) ABL1BCRFAAHTRPA1
SCHEMBL16635371 0.80 FAAH (0.48) FAAHTRPA1
Hydrochloric Acid SCHEMBL16635254 0.79 ABL1 (0.48) ABL1BCRFAAHTRPA1
SCHEMBL16634991 0.79 MPL (0.49) 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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
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-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-3101015-B1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO LTD (JP) 2019-09-18 EP 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
EP-2900642-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-08-05 EP disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 US disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 ABL1 2917/4885BCR 2665/4885FAAH 269/4885
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS TRPA1, TRPV1, TRPV5 ABL1 1402/4885BCR 1371/4885FAAH 830/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 ABL1 2917/4885BCR 2665/4885FAAH 269/4885
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same TRPA1, TRPV1, TRPV2 ABL1 2131/4885BCR 2527/4885FAAH 373/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 ABL1 2917/4885BCR 2665/4885FAAH 269/4885
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 ABL1 3488/4885BCR 3100/4885FAAH 52/4885

“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.