SCHEMBL4628488

SCHEMBL4628488

CCOc1ccc(C(=O)NC(=N)NCCCCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
SCN5A Q14524 3/20 0.62
SCN2A Q99250 3/20 0.62
KMT2A Q03164 5/20 0.61
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX12 P18054 1/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 2/20 0.56
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL4628966 0.97 NPC1 (0.66) MAPTNPC1RAB9ASMN1; SMN2SCN5A
SCHEMBL4627416 0.92 NPC1 (0.67) MAPTNPC1RAB9ASMN1; SMN2SCN5A
SCHEMBL4628732 0.91 KMT2A (0.66) MAPTNPC1RAB9ASMN1; SMN2SCN5A
SCHEMBL4629252 0.89 NPC1 (0.69) MAPTNPC1RAB9ASMN1; SMN2SCN5A
SCHEMBL4628718 0.88 ALDH1A1 (0.62) MAPTNPC1RAB9ASCN5ASCN2A
SCHEMBL4628372 0.87 ALDH1A1 (0.61) MAPTNPC1RAB9ASCN5ASCN2A
SCHEMBL4629466 0.85 NPC1 (0.65) NPC1RAB9ASMN1; SMN2SCN5ASCN2A
SCHEMBL4629427 0.84 SCN5A (0.70) NPC1RAB9ASMN1; SMN2SCN5ASCN2A
SCHEMBL4627587 0.83 SCN5A (0.69) NPC1RAB9ASMN1; SMN2SCN5ASCN2A
SCHEMBL4628981 0.83 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2SCN5A

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 MAPT 705/4885NPC1 140/4885RAB9A 617/4885

“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.