SCHEMBL5177355

SCHEMBL5177355

COc1cccc(C(Cc2ccc(C(C)(C)C)cc2)C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
EPHX1 P07099 6/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
STAT1 P42224 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
TP53 P04637 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
MEN1 O00255 1/20 0.41
EPHX2 P34913 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL4034059 0.89 MEN1 (0.44) L3MBTL1EPHX1NPC1RAB9ALMNA
SCHEMBL5175952 0.88 NR4A1 (0.46) EPHX1LMNAMAPTSMN1; SMN2TP53
SCHEMBL3272981 0.88 EPHX1 (0.45) L3MBTL1EPHX1LMNATP53NR4A1
SCHEMBL3272260 0.87 TRPM8 (0.45) EPHX1NR4A1NR4A2NR4A3EPHX2
SCHEMBL28617579 0.86 EPHX1 (0.65) L3MBTL1EPHX1MTNR1AMTNR1B
SCHEMBL29609868 0.86 EPHX1 (0.65) L3MBTL1EPHX1MTNR1AMTNR1B
SCHEMBL4152962 0.85 MEN1 (0.51) L3MBTL1EPHX1NPC1RAB9ALMNA
SCHEMBL5177167 0.84 EPHX1 (0.50) EPHX1TP53NR4A1NR4A2NR4A3
SCHEMBL5187961 0.83 ACACA (0.46) EPHX1NR4A1NR4A2NR4A3
SCHEMBL3939264 0.82 EPHX1 (0.49) EPHX1NPC1RAB9ALMNAMEN1

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
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 (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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP L3MBTL1 2758/4885EPHX1 2381/4885NPC1 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.