SCHEMBL4628980

SCHEMBL4628980

Cc1ccc(C(=O)NC(N)=Nc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 11/20 1.00
SCN5A Q14524 9/20 0.63
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
MAPK1 P28482 1/20 0.58
LMNA P02545 1/20 0.56
PARP10 Q53GL7 2/20 0.54
NOS3 P29474 1/20 0.51
NOS1 P29475 1/20 0.51
NOS2 P35228 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

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) SCN2ASCN5AALDH1A1MAPTPARP10
SCHEMBL4628674 0.91 SCN2A (0.83) SCN2ASCN5AALDH1A1MAPTLMNA
SCHEMBL4629225 0.89 SCN2A (0.80) SCN2ASCN5AALDH1A1MAPTPARP10
SCHEMBL4628715 0.84 SCN2A (0.72) SCN2ASCN5AALDH1A1MAPTPARP10
SCHEMBL4627476 0.81 SCN2A (0.69) SCN2AMAPK1LMNAPARP10
SCHEMBL4628743 0.81 SCN2A (0.67) SCN2AALDH1A1PARP10NOS3NOS1
SCHEMBL4628948 0.81 SCN2A (0.67) SCN2ASCN5AALDH1A1MAPTPARP10
SCHEMBL4628807 0.80 SCN2A (0.66) SCN2ASCN5AALDH1A1PARP10NOS3
SCHEMBL4627497 0.80 SCN2A (0.66) SCN2ASCN5AALDH1A1PARP10NOS3
SCHEMBL4628996 0.79 SCN2A (0.65) SCN2ASCN5AALDH1A1MAPTLMNA

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-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

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 1613/4885SCN5A 1196/4885ALDH1A1 858/4885

“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.