SCHEMBL4629387

SCHEMBL4629387

COc1ccc(C(=O)NC(=N)Nc2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.61
RAB9A P51151 9/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
TP53 P04637 5/20 0.61
ALOX15 P16050 2/20 0.61
ALDH1A1 P00352 8/20 0.56
LMNA P02545 6/20 0.56
MAPT P10636 5/20 0.56
KDM4E B2RXH2 4/20 0.56
HSD17B10 Q99714 2/20 0.56
MCL1 Q07820 1/20 0.56
MAPK1 P28482 2/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 1/20 0.54
CYP1A2 P05177 3/20 0.52
USP2 O75604 1/20 0.52
XDH P47989 1/20 0.52
GLA P06280 1/20 0.51
CYP2D6 P10635 2/20 0.50

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
SCHEMBL4628517 0.90 SCN5A (0.57) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL4628765 0.88 KMT2A (0.61) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL4628721 0.87 RAB9A (0.63) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL4628741 0.86 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL4627489 0.84 ABCB1 (0.55) SMN1; SMN2TP53ALDH1A1LMNAMAPT
SCHEMBL4628500 0.84 LMNA (0.56) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4117703 0.78 SMN1; SMN2 (0.76) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL6799157 0.78 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL4105580 0.77 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL4628673 0.77 NPC1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US disclosed
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA NPC1 140/4885RAB9A 617/4885SMN1; SMN2 53/4885

“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.