SCHEMBL4628987

SCHEMBL4628987

N=C(NC(=O)c1cccs1)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.78
RAB9A P51151 5/20 0.78
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
KDM4E B2RXH2 3/20 0.57
MAPT P10636 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.53
LTA4H P09960 4/20 0.52
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49

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 0.83 RAB9A (0.75) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4628799 0.81 NPC1 (0.56) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL4628945 0.79 GPR55 (0.58) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4979973 0.78 MEN1 (0.69) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL4628742 0.78 LTA4H (0.63) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL4628976 0.78 NPC1 (0.63) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4629221 0.78 NPC1 (0.63) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4628673 0.78 NPC1 (0.63) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4627493 0.78 NPC1 (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4629265 0.77 MEN1 (0.59) NPC1RAB9AMEN1KMT2AALDH1A1

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 617/4885MEN1 1819/4885

“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.