SCHEMBL10256995

SCHEMBL10256995

COc1cc(N)c(C)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.55
TSHR P16473 2/20 0.55
MAPK1 P28482 1/20 0.55
POLB P06746 2/20 0.53
GAA P10253 2/20 0.53
GFER P55789 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42

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
SCHEMBL6314009 0.90 POLB (0.59) CYP3A4TSHRMAPK1POLBGAA
SCHEMBL1225409 0.87 POLB (0.61) CYP3A4TSHRMAPK1POLBGAA
SCHEMBL5951914 0.87 ALDH1A1 (0.48) CYP3A4TSHRMAPK1POLBGAA
SCHEMBL29666518 0.87 POLB (0.61) CYP3A4TSHRMAPK1POLBGAA
SCHEMBL30723004 0.85 L3MBTL1 (0.60) CYP3A4TSHRMAPK1POLBGAA
SCHEMBL1707894 0.85 POLB (0.54) CYP3A4TSHRMAPK1POLBGAA
SCHEMBL525676 0.85 L3MBTL1 (0.60) CYP3A4TSHRMAPK1POLBGAA
SCHEMBL9520839 0.85 L3MBTL1 (0.60) CYP3A4TSHRMAPK1POLBGAA
SCHEMBL3343872 0.84 POLB (0.54) CYP3A4TSHRMAPK1POLBGAA
Hydrochloric Acid SCHEMBL3333737 0.83 L3MBTL1 (0.58) CYP3A4TSHRMAPK1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
US-9090619-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-07-28 US disclosed
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-03-05 US disclosed
US-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US disclosed
US-20140343315-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED 2014-11-20 US disclosed
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-8829204-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-09 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-20140187770-A9 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-03 US disclosed
US-8354427-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-01-15 US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-8324242-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-12-04 US disclosed
US-8101767-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
EP-2090578-A1 Substituted arylamide diazepinopyrimidone derivatives for the treatment of neurodegenerative diseases caused by abnormal activity of GSK3-beta Sanofi-Aventis (FR) 2009-08-19 EP disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 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 (12 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-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CYP3A4 1862/4885TSHR 2753/4885MAPK1 4329/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CYP3A4 1862/4885TSHR 2753/4885MAPK1 4329/4885
US-20140343315-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CYP3A4 1862/4885TSHR 2753/4885MAPK1 4329/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CYP3A4 1862/4885TSHR 2753/4885MAPK1 4329/4885
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CYP3A4 1862/4885TSHR 2753/4885MAPK1 4329/4885
US-20140187770-A9 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CYP3A4 1862/4885TSHR 2753/4885MAPK1 4329/4885
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CYP3A4 1862/4885TSHR 2753/4885MAPK1 4329/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CYP3A4 1862/4885TSHR 2753/4885MAPK1 4329/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CYP3A4 1862/4885TSHR 2753/4885MAPK1 4329/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CYP3A4 1862/4885TSHR 2753/4885MAPK1 4329/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CYP3A4 1862/4885TSHR 2753/4885MAPK1 4329/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 CYP3A4 3256/4885TSHR 2802/4885MAPK1 4015/4885

“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.