SCHEMBL1734880

SCHEMBL1734880

N#Cc1ccc2oc(-c3ccc(N)cc3)nc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.69
RAB9A P51151 9/20 0.69
GFER P55789 2/20 0.69
RXFP1 Q9HBX9 2/20 0.69
MAPT P10636 5/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 4/20 0.59
TP53 P04637 3/20 0.59
HSD17B10 Q99714 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HPGD P15428 2/20 0.58
ATM Q13315 2/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL1733840 0.85 HDAC6 (0.60) NPC1RAB9AGFERRXFP1KDM4E
SCHEMBL28868337 0.85 SMN1; SMN2 (0.60) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL13067482 0.85 HDAC6 (0.56) NPC1RAB9AGFERRXFP1KDM4E
SCHEMBL31165942 0.84 PIK3CB (0.61) RXFP1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL11376267 0.84 HDAC6 (0.54) NPC1RAB9AGFERRXFP1KDM4E
SCHEMBL29404722 0.82 RAB9A (1.00) NPC1RAB9AGFERRXFP1MAPT
SCHEMBL1852701 0.82 RAB9A (1.00) NPC1RAB9AGFERRXFP1MAPT
SCHEMBL5654856 0.82 RAB9A (0.86) NPC1RAB9AGFERRXFP1MAPT
SCHEMBL29603993 0.82 RAB9A (0.86) NPC1RAB9AGFERRXFP1MAPT
SCHEMBL11642024 0.82 HDAC6 (0.56) HDAC6CETPHSPD1PTPN2PTPN1

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 10 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
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
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
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 NPC1 6/4885RAB9A 3929/4885GFER 4082/4885

“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.