SCHEMBL4151139

SCHEMBL4151139

CNC(=O)c1c(OC)cc(OC)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
USP2 O75604 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PLK1 P53350 2/20 0.50
MAPT P10636 1/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43

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
SCHEMBL11296729 0.89 CYP3A4 (0.67) CYP3A4USP2MAPK1SMN1; SMN2PLK1
SCHEMBL347495 0.89 CYP3A4 (0.51) CYP3A4USP2MAPK1SMN1; SMN2PLK1
SCHEMBL7945916 0.84 CYP3A4 (0.55) CYP3A4USP2MAPK1SMN1; SMN2MAPT
SCHEMBL4377842 0.82 CYP3A4 (0.53) CYP3A4USP2MAPK1SMN1; SMN2MAPT
SCHEMBL26906294 0.82 PLK1 (0.45) CYP3A4PLK1MAPTCYP2C19CYP1A2
SCHEMBL4158159 0.79 CYP3A4 (0.50) CYP3A4USP2MAPK1SMN1; SMN2MAPT
Methyl 2,4,6-Trimethoxybenzoate SCHEMBL2563067 0.79 CYP3A4 (0.58) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL20257271 0.78 ALDH1A1 (0.49) CYP3A4SMN1; SMN2PLK1KMT2AALDH1A1
SCHEMBL14818820 0.78 PLK1 (0.48) CYP3A4SMN1; SMN2PLK1MAPTKMT2A
SCHEMBL8573727 0.78 PLK1 (0.45) CYP3A4USP2MAPK1SMN1; SMN2PLK1

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
WO-2016004093-A2 THERAPEUTIC COMPOSITIONS INCLUDING GALECTIN-3 INHIBITORS AND USES THEREOF STEALTH BIOTHERAPEUTICS CORP (MC) 2016-01-07 WO disclosed
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2009-05-21 US disclosed
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP 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-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES PRMT5, CYC1, CBR3 CYP3A4 1160/4885USP2 1766/4885MAPK1 1958/4885

“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.