SCHEMBL4152962

SCHEMBL4152962

COc1ccc(C(Cc2ccc(C(C)(C)C)cc2)C(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
EPHX2 P34913 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
APEX1 P27695 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.48
EPHX1 P07099 7/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 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
SCHEMBL21959089 0.90 EPHX1 (0.57) ALDH1A1EPHX1CYP1A2CYP2D6CYP2C19
SCHEMBL4034059 0.88 MEN1 (0.44) MEN1NPC1EPHX2RAB9AKMT2A
SCHEMBL4155045 0.86 EPHX1 (0.44) MEN1NPC1RAB9AKMT2AEPHX1
SCHEMBL5188913 0.86 EPHX1 (0.44) NR1H4L3MBTL1LMNAEPHX1ADCY6
SCHEMBL5177355 0.85 L3MBTL1 (0.49) MEN1NPC1EPHX2RAB9AKMT2A
SCHEMBL3271868 0.85 EPHX1 (0.51) NPC1EPHX2RAB9ANR1H4MAPT
SCHEMBL4027743 0.85 ESR1 (0.58) LMNAEPHX1ESR1ESR2
SCHEMBL3945921 0.84 MEN1 (0.47) MEN1KMT2AALOX15EPHX1LDHA
SCHEMBL3273907 0.83 EPHX1 (0.50) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL3942501 0.83 EPHX1 (0.50) MEN1NPC1RAB9AKMT2ALMNA

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 MEN1 2604/4885NPC1 6/4885EPHX2 3692/4885
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP MEN1 1778/4885NPC1 11/4885EPHX2 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.