SCHEMBL4628372

SCHEMBL4628372

COc1ccc(C(=O)NC(=N)NCCCCCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
SCN5A Q14524 2/20 0.59
SCN2A Q99250 2/20 0.59
NPC1 O15118 3/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALOX12 P18054 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
SLC6A5 Q9Y345 2/20 0.53
SIGMAR1 Q99720 1/20 0.53
HSP90AA1 P07900 1/20 0.52

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
SCHEMBL4628718 0.99 ALDH1A1 (0.62) ALDH1A1SCN5ASCN2ANPC1RAB9A
SCHEMBL4628732 0.88 KMT2A (0.66) ALDH1A1SCN5ASCN2ANPC1RAB9A
SCHEMBL4628488 0.87 MAPT (0.65) ALDH1A1SCN5ASCN2ANPC1RAB9A
SCHEMBL4627587 0.87 SCN5A (0.69) ALDH1A1SCN5ASCN2ANPC1RAB9A
SCHEMBL4627416 0.86 NPC1 (0.67) ALDH1A1SCN5ASCN2ANPC1RAB9A
SCHEMBL4629466 0.86 NPC1 (0.65) ALDH1A1SCN5ASCN2ANPC1RAB9A
SCHEMBL4629427 0.85 SCN5A (0.70) ALDH1A1SCN5ASCN2ANPC1RAB9A
SCHEMBL4628966 0.84 NPC1 (0.66) SCN5ASCN2ANPC1RAB9AMEN1
SCHEMBL4629479 0.83 NPC1 (0.56) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL4628683 0.83 SCN5A (0.58) ALDH1A1SCN5ASCN2ANPC1RAB9A

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-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
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

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 ALDH1A1 858/4885SCN5A 1196/4885SCN2A 1613/4885

“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.