SCHEMBL1733883

SCHEMBL1733883

Cc1cc(C#N)cc(N)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
TTR P02766 3/20 0.48
ALB P02768 2/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
BRD4 O60885 1/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL17914246 0.84 TTR (0.52) KDM4ELMNAGAAALDH1A1MAPT
SCHEMBL197918 0.84 TTR (0.58) KDM4ELMNAGAAALDH1A1MAPT
SCHEMBL2339085 0.78 ALDH1A1 (0.39) KDM4EGAAALDH1A1MAPTTTR
SCHEMBL21865970 0.78 TTR (0.37) KDM4ELMNAGAAALDH1A1TTR
SCHEMBL27755117 0.78 TTR (0.52) KDM4ELMNAALDH1A1MAPTTTR
SCHEMBL24193570 0.77 TTR (0.83) KDM4ELMNAGAAALDH1A1MAPT
SCHEMBL1175832 0.75 TTR (0.48) GAAALDH1A1TTRALBMEN1
SCHEMBL20973292 0.75 TTR (0.72) ALDH1A1TTRALBMEN1KMT2A
SCHEMBL29451006 0.75 TTR (0.48) GAAALDH1A1TTRALBMEN1
SCHEMBL12594013 0.75 TTR (0.48) ALDH1A1TTRALBMEN1KMT2A

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 13 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
EP-2170058-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2013-07-03 EP disclosed
US-8445480-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP. (US) 2013-05-21 US 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-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC (US) 2010-11-25 US disclosed
EP-2170058-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
WO-2008156715-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 WO 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 (2 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 KDM4E 3316/4885LMNA 447/4885GAA 708/4885
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP KDM4E 1621/4885LMNA 382/4885GAA 417/4885

“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.