SCHEMBL4628673

SCHEMBL4628673

COc1ccc(C(=O)NC(=N)Nc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.63
RAB9A P51151 8/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
RXFP1 Q9HBX9 2/20 0.56
HTT P42858 1/20 0.56
POLB P06746 2/20 0.55
GAA P10253 1/20 0.55
LTA4H P09960 1/20 0.55
KDM4E B2RXH2 1/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL4628689 0.92 RAB9A (0.75) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4628976 0.91 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4629221 0.88 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4628709 0.83 MEN1 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12044019 0.83 NPC1 (0.82) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4627472 0.81 RAB9A (0.79) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22192264 0.81 RAB9A (0.94) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4628945 0.80 GPR55 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14810121 0.79 SMO (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4979973 0.79 MEN1 (0.69) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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.