SCHEMBL4628674

SCHEMBL4628674

COc1ccc(C(=O)NC(N)=Nc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 5/20 0.83
ALDH1A1 P00352 3/20 0.58
MAPT P10636 3/20 0.58
HTT P42858 1/20 0.58
SCN5A Q14524 4/20 0.58
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
PARP10 Q53GL7 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 2/20 0.52
KDM4E B2RXH2 2/20 0.51
NOS3 P29474 1/20 0.51
NOS1 P29475 1/20 0.51
NOS2 P35228 1/20 0.51
LMNA P02545 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
MAOB P27338 1/20 0.51

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
SCHEMBL4628694 0.92 SCN2A (0.84) SCN2AALDH1A1MAPTSCN5ANPC1
SCHEMBL4628980 0.91 SCN2A (1.00) SCN2AALDH1A1MAPTSCN5APARP10
SCHEMBL4629225 0.89 SCN2A (0.80) SCN2AALDH1A1MAPTHTTSCN5A
SCHEMBL4628715 0.84 SCN2A (0.72) SCN2AALDH1A1MAPTHTTSCN5A
SCHEMBL5432108 0.82 NOS3 (0.59) SCN2AALDH1A1MAPTHTTNPC1
SCHEMBL4627476 0.81 SCN2A (0.69) SCN2AHTTNPC1RAB9APARP10
SCHEMBL4628743 0.81 SCN2A (0.67) SCN2AALDH1A1NPC1RAB9APARP10
SCHEMBL4628948 0.81 SCN2A (0.67) SCN2AALDH1A1MAPTHTTSCN5A
SCHEMBL4627497 0.80 SCN2A (0.66) SCN2AALDH1A1SCN5ANPC1RAB9A
SCHEMBL4628807 0.80 SCN2A (0.66) SCN2AALDH1A1HTTSCN5ANPC1

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 SCN2A 1613/4885ALDH1A1 858/4885MAPT 705/4885

“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.