SCHEMBL4628469

SCHEMBL4628469

N=C(NCCc1ccccc1)NC(=O)c1cccs1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.74
RAB9A P51151 5/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.55
HTT P42858 1/20 0.54
SCN5A Q14524 1/20 0.53
SCN2A Q99250 1/20 0.53
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TRPA1 O75762 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL4628443 0.91 NPC1 (0.70) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL4629277 0.86 NPC1 (0.57) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL11276433 0.86 NPC1 (1.00) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL4628427 0.85 KMT2A (0.63) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL13584139 0.77 NPC1 (0.59) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL4628740 0.76 KDM4E (0.55) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL711885 0.76 NPC1 (0.91) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL13685785 0.76 NPC1 (0.74) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL13585003 0.76 NPC1 (0.57) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL3679691 0.75 CA12 (0.53) NPC1RAB9ASMN1; SMN2MAPTHPGD

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.