SCHEMBL1733889

SCHEMBL1733889

Nc1ccc(-c2nc3cc(Br)cc(CC=O)c3o2)nc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.33
ESR2 Q92731 4/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HIF1A Q16665 1/20 0.31
CEPT1 Q9Y6K0 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1735102 0.81 RAB9A (0.43) ESR1ESR2NPC1TP53RAB9A
SCHEMBL1733888 0.76 CEPT1 (0.45) ESR1ESR2NPC1TP53RAB9A
SCHEMBL30493519 0.71 RAB9A (0.55) NPC1TP53RAB9ASMN1; SMN2PKM
SCHEMBL29030361 0.71 RAB9A (0.55) NPC1TP53RAB9ASMN1; SMN2PKM
SCHEMBL3190619 0.66 NPC1 (0.63) NPC1TP53RAB9ASMN1; SMN2PKM
SCHEMBL1736085 0.66 CEPT1 (0.43) NPC1RAB9ACEPT1
SCHEMBL21674269 0.63 NPC1 (0.63) NPC1TP53RAB9ASMN1; SMN2PKM
SCHEMBL1733936 0.63 CEPT1 (0.58) TP53SMN1; SMN2CEPT1MAPT
SCHEMBL25955977 0.62 NPC1 (0.33) NPC1TP53RAB9ASMN1; SMN2PKM
SCHEMBL1733864 0.62 NPC1 (0.53) ESR1ESR2NPC1TP53RAB9A

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 4 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-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

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 ESR1 3810/4885ESR2 1535/4885NPC1 6/4885

“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.