SCHEMBL4152960

SCHEMBL4152960

COc1ccc(CC(=O)NCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.72
MEN1 O00255 1/20 0.72
EPHX2 P34913 1/20 0.72
RAB9A P51151 1/20 0.72
KMT2A Q03164 1/20 0.72
NR1H4 Q96RI1 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
ALDH1A1 P00352 1/20 0.72
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA9 Q16790 1/20 0.64
ERCC1 P07992 1/20 0.63
ERCC4 Q92889 1/20 0.63
HTT P42858 1/20 0.58

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
SCHEMBL4034058 0.89 ALDH1A1 (0.62) NPC1MEN1EPHX2RAB9AKMT2A
SCHEMBL5177353 0.85 NPC1 (0.60) NPC1MEN1EPHX2RAB9AKMT2A
SCHEMBL4155043 0.85 ALDH1A1 (0.54) NPC1MEN1EPHX2RAB9AKMT2A
SCHEMBL7302137 0.84 EPHX2 (1.00) NPC1MEN1EPHX2RAB9AKMT2A
SCHEMBL5188912 0.84 NR1H4 (0.58) NPC1MEN1EPHX2RAB9AKMT2A
SCHEMBL5862101 0.84 NPC1 (1.00) NPC1MEN1RAB9AKMT2AL3MBTL1
SCHEMBL28497417 0.84 NPC1 (1.00) NPC1MEN1RAB9AKMT2AL3MBTL1
SCHEMBL3278159 0.84 LMNA (0.68) NPC1MEN1EPHX2RAB9AKMT2A
SCHEMBL3271866 0.84 KMT2A (0.68) NPC1MEN1EPHX2RAB9AKMT2A
SCHEMBL4027739 0.84 ESRRG (0.74) EPHX2NR1H4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US claimed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP NPC1 6/4885MEN1 2604/4885EPHX2 3692/4885
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP NPC1 11/4885MEN1 1778/4885EPHX2 2374/4885

“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.