SCHEMBL4628799

SCHEMBL4628799

N=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LTA4H P09960 5/20 0.53
ALDH1A1 P00352 3/20 0.53
DHODH Q02127 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
PTPN11 Q06124 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 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
SCHEMBL4627493 0.88 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4628977 0.88 MEN1 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4628689 0.84 RAB9A (0.75) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4629221 0.84 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4628709 0.83 MEN1 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4627483 0.82 TAS1R3 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4628742 0.82 LTA4H (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4629265 0.81 MEN1 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4628987 0.81 NPC1 (0.78) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11232862 0.80 MEN1 (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP claimed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP claimed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO 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
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

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.