SCHEMBL1736048

SCHEMBL1736048

Nc1ccc(-c2nc3cc(Cl)ccc3s2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
NFKB1 P19838 1/20 0.49
GFER P55789 1/20 0.49
NFKB2 Q00653 1/20 0.49
KMT2A Q03164 1/20 0.49
RELA Q04206 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
IDO1 P14902 1/20 0.48
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL4604185 0.80 MAPT (0.76) APPGAAMAPTNPC1RAB9A
SCHEMBL25028232 0.80 GAA (0.41) APPGAAMAPTNPC1RAB9A
SCHEMBL27451504 0.78 APP (0.63) APPGAAMAPTNPC1RAB9A
SCHEMBL7258482 0.77 AGPAT2 (0.56) APPGAAMAPTNPC1RAB9A
SCHEMBL29081219 0.76 KDM4E (0.66) GAAMAPTNPC1RAB9AKDM4E
SCHEMBL4531884 0.75 AGPAT2 (0.52) GAANPC1RAB9AKDM4EALDH1A1
SCHEMBL7258919 0.74 AGPAT2 (0.51) APPGAAMAPTNPC1RAB9A
SCHEMBL2244906 0.74 MAPT (0.81) APPGAAMAPTNPC1RAB9A
SCHEMBL2055227 0.72 APP (0.67) APPGAAMAPTGLAILK
SCHEMBL482340 0.72 LOXL2 (0.61) GAAMAPTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 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 (1 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 APP 803/4885GAA 708/4885MAPT 1796/4885

“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.