SCHEMBL4628948

SCHEMBL4628948

NC(=Nc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccco1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN2A Q99250 2/20 0.67
▸ MAPT P10636 4/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ SCN5A Q14524 1/20 0.52
▸ NOS3 P29474 2/20 0.49
▸ NOS1 P29475 2/20 0.49
▸ NOS2 P35228 2/20 0.49
▸ PARP10 Q53GL7 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LTA4H P09960 1/20 0.44

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 0.85 SCN2A (0.84) SCN2AMAPTNPC1RAB9ASCN5A
SCHEMBL4628743 0.82 SCN2A (0.67) SCN2ANPC1RAB9ANOS3NOS1
SCHEMBL4628807 0.81 SCN2A (0.66) SCN2ANPC1RAB9ASCN5ANOS3
SCHEMBL4629225 0.81 SCN2A (0.80) SCN2AMAPTNPC1RAB9ASCN5A
SCHEMBL4628980 0.81 SCN2A (1.00) SCN2AMAPTSCN5ANOS3NOS1
SCHEMBL4628674 0.81 SCN2A (0.83) SCN2AMAPTNPC1RAB9ASCN5A
SCHEMBL4627497 0.81 SCN2A (0.66) SCN2ANPC1RAB9ASCN5ANOS3
SCHEMBL4628996 0.80 SCN2A (0.65) SCN2AMAPTNPC1RAB9ASCN5A
SCHEMBL4629268 0.79 SCN2A (0.64) SCN2ASCN5ANOS3NOS1NOS2
SCHEMBL4627476 0.78 SCN2A (0.69) SCN2ANPC1RAB9APARP10HTT

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 1613/4885MAPT 705/4885NPC1 140/4885

“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.

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