SCHEMBL1733969

SCHEMBL1733969

N#Cc1cc(Br)c2oc(-c3ccc(N)cc3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.51
ESR1 P03372 5/20 0.51
HDAC6 Q9UBN7 2/20 0.51
NPC1 O15118 9/20 0.46
RAB9A P51151 9/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
GFER P55789 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 2/20 0.42
TP53 P04637 3/20 0.40
HSD17B10 Q99714 3/20 0.40
NFKB1 P19838 2/20 0.39

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
SCHEMBL1735100 0.84 CEPT1 (0.53) NPC1RAB9ACEPT1CETP
SCHEMBL13204422 0.83 ESR2 (0.48) ESR2ESR1HDAC6CEPT1CETP
SCHEMBL2837210 0.82 CETP (0.50) ESR2ESR1HDAC6NPC1RAB9A
SCHEMBL1735515 0.81 MMP2 (0.48) ESR2ESR1HDAC6NPC1RAB9A
SCHEMBL2840161 0.78 MAPT (0.51) ESR2ESR1HDAC6NPC1RAB9A
SCHEMBL28277235 0.78 HTT (0.42) ESR2ESR1HDAC6MAPTMEN1
SCHEMBL1736298 0.77 CEPT1 (0.56) CEPT1CETP
SCHEMBL1734880 0.76 NPC1 (0.69) HDAC6NPC1RAB9AMAPTMEN1
SCHEMBL1733972 0.76 CEPT1 (0.53) CEPT1CETP
SCHEMBL1735106 0.73 CETP (0.54) ESR2ESR1CEPT1CETP

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 ESR2 1535/4885ESR1 3810/4885HDAC6 843/4885

“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.