SCHEMBL1733864

SCHEMBL1733864

Cc1cc(Br)cc2nc(-c3ccc(N)cc3)oc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.53
RAB9A P51151 12/20 0.53
CEPT1 Q9Y6K0 3/20 0.50
MAPT P10636 7/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 2/20 0.49
GFER P55789 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 4/20 0.48
HSD17B10 Q99714 4/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL11751281 0.86 RAB9A (0.57) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1735102 0.81 RAB9A (0.43) NPC1RAB9ACEPT1MAPTMEN1
SCHEMBL1734833 0.80 MMP2 (0.56) NPC1RAB9ACEPT1MAPTMEN1
SCHEMBL1735100 0.79 CEPT1 (0.53) NPC1RAB9ACEPT1CETP
SCHEMBL11745734 0.78 NPC1 (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21794460 0.77 NPC1 (0.57) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL19922356 0.76 NUDT1 (0.68) NPC1RAB9ACEPT1MAPTESR1
SCHEMBL1735101 0.75 CEPT1 (0.70) CEPT1MAPTSMN1; SMN2RXFP1TP53
SCHEMBL15745638 0.74 NPC1 (0.66) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL2247467 0.74 RAB9A (0.76) NPC1RAB9AMAPTMEN1KMT2A

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 9 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-1978930-A2 SUTURES AND ANTI-SCARRING AGENTS Angiotech Pharmaceuticals, Inc. (CA) 2008-10-15 EP disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007089878-A2 SUTURES AND ANTI-SCARRING AGENTS ANGIOTECH PHARMACEUTICALS, INC. (CA) 2007-08-09 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 3929/4885CEPT1 91/4885

“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.