SCHEMBL977930

SCHEMBL977930

Nc1cccc(-c2ccccc2OC(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.56
CYP2C9 P11712 2/20 0.50
ALOX5AP P20292 1/20 0.50
FEN1 P39748 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TRPA1 O75762 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL29118749 0.87 SCN9A (0.43) SCN9ACYP2C9ALOX5APFEN1CYP3A4
SCHEMBL7803911 0.86 ADRA2A (0.43) SCN9ACYP2C9ALOX5APFEN1CYP3A4
SCHEMBL14003435 0.83 MAOB (0.44) SCN9AKDM4EMAPT
SCHEMBL5545746 0.81 SCN9A (0.60) SCN9ACYP2C9CYP3A4CYP2D6TRPA1
SCHEMBL14744155 0.81 NCOA1 (0.51) SCN9ACYP2C9ALOX5APFEN1CYP3A4
SCHEMBL1271677 0.80 NCOA1 (0.55) CYP3A4KDM4EMAPT
SCHEMBL5545741 0.80 SCN9A (0.56) SCN9ACYP2C9CYP3A4CYP2D6TRPA1
SCHEMBL29788132 0.80 FFAR4 (0.55) SCN9ACYP2C9ALOX5APFEN1CYP3A4
SCHEMBL306822 0.80 FFAR4 (0.55) SCN9ACYP2C9ALOX5APFEN1CYP3A4
SCHEMBL1400390 0.80 ALOX5AP (0.55) SCN9AALOX5APFEN1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3087072-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES Zoetis Services LLC (US) 2016-11-02 EP disclosed
US-20160296499-A1 Spiroindoline Antiparasitic Derivatives ZOETIS SERVICES LLC 2016-10-13 US disclosed
CN-105829311-A SPIROINDOLINE ANTIPARASITIC DERIVATIVES 硕腾服务有限责任公司 2016-08-03 CN disclosed
WO-2015100232-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES ZOETIS SERVICES LLC (US) 2015-07-02 WO disclosed
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
EP-1694654-B1 SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK SHARP & DOHME (US) 2011-03-02 EP disclosed
EP-1694654-B1 SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK SHARP & DOHME (US) 2011-03-02 EP disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
US-7326726-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. (US) 2008-02-05 US disclosed
US-7326726-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. (US) 2008-02-05 US disclosed
EP-1694654-A2 SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-08-30 EP disclosed
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. 2006-08-17 US disclosed
US-20060020006-A1 Substituted triazoles as sodium channel blockers MERCK SHARP & DOHME LLC 2006-01-26 US disclosed
EP-1606269-A1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2005-12-21 EP disclosed
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers MERCK SHARP & DOHME LLC 2005-06-02 US disclosed
WO-2005047270-A2 SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2005-05-26 WO disclosed
WO-2004083190-A1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO. INC. (US) 2004-09-30 WO disclosed
WO-2004083189-A1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-09-30 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 (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-20160296499-A1 Spiroindoline Antiparasitic Derivatives PKD2, PKD1, AVPR2 SCN9A 371/4885CYP2C9 277/4885ALOX5AP 1773/4885
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers SCN3A, TRPV1, KCNN3 SCN9A 67/4885CYP2C9 279/4885ALOX5AP 2444/4885
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 SCN9A 4326/4885CYP2C9 4309/4885ALOX5AP 1578/4885
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B SCN9A 56/4885CYP2C9 349/4885ALOX5AP 2474/4885
US-20060020006-A1 Substituted triazoles as sodium channel blockers TRPV1, SCN3A, SCN5A SCN9A 50/4885CYP2C9 574/4885ALOX5AP 2400/4885

“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.