SCHEMBL14947753

SCHEMBL14947753

CC(C)c1nc2c([nH]1)-c1ccc(C(C)(C)C)cc1CC2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 11/20 0.35
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2706453 0.85 SCN10A (0.34) SCN10AKCNH2
SCHEMBL8762119 0.85 KDM4E (0.39) KDM4ELMNAHSD17B10
SCHEMBL2706449 0.84 CYP17A1 (0.32) SCN10A
SCHEMBL2707318 0.83 KDM4E (0.35) SCN10AKDM4ELMNAHSD17B10
SCHEMBL10141032 0.83 TYMS (0.39) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL9977000 0.83 CYP17A1 (0.33) SCN10A
SCHEMBL19521601 0.82 SCN10A (0.31) SCN10A
SCHEMBL2705896 0.82 SCN10A (0.36) SCN10ANPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL2707301 0.81 CYP17A1 (0.34) SCN10A
SCHEMBL19521613 0.78 NPSR1 (0.34) SCN10AL3MBTL1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9561212-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-07 US disclosed
US-9561212-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-07 US disclosed
US-9546160-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-17 US disclosed
US-20160338999-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-24 US disclosed
US-20150252028-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-09-10 US disclosed
US-20130121957-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-05-16 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 (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-20160338999-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SCN10A 4625/4885KDM4E 3857/4885NPC1 65/4885
US-20130121957-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SCN10A 4625/4885KDM4E 3857/4885NPC1 65/4885
US-20150252028-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SCN10A 4625/4885KDM4E 3857/4885NPC1 65/4885

“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.