SCHEMBL11723745

SCHEMBL11723745

Nc1ccc(C2(c3ccccc3)NC(=O)NC2=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.79
CACNA1F O60840 1/20 0.79
ALDH1A1 P00352 1/20 0.79
MAPT P10636 1/20 0.79
HTR2A P28223 1/20 0.79
HRH1 P35367 1/20 0.79
SCN1A P35498 1/20 0.79
SCN4A P35499 1/20 0.79
BLM P54132 1/20 0.79
PMP22 Q01453 1/20 0.79
CACNA1D Q01668 1/20 0.79
KCNH2 Q12809 1/20 0.79
CACNA1S Q13698 1/20 0.79
CACNA1C Q13936 1/20 0.79
SCN5A Q14524 1/20 0.79
SCN2A Q99250 1/20 0.79
SCN3A Q9NY46 1/20 0.79
AKR1B1 P15121 3/20 0.70
GAA P10253 1/20 0.49
ITGA4 P13612 1/20 0.49

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
Phenytoin SCHEMBL5499612 0.89 CYP2C9 (1.00) CYP2C9CACNA1FALDH1A1MAPTHTR2A
Phenytoin SCHEMBL3440 0.89 CYP2C9 (1.00) CYP2C9CACNA1FALDH1A1MAPTHTR2A
Phenytoin SCHEMBL1461588 0.87 CYP2C9 (0.96) CYP2C9CACNA1FALDH1A1MAPTHTR2A
Phenytoin SCHEMBL157671 0.87 CYP2C9 (0.96) CYP2C9CACNA1FALDH1A1MAPTHTR2A
Phenytoin SCHEMBL28548871 0.87 CYP2C9 (0.96) CYP2C9CACNA1FALDH1A1MAPTHTR2A
Phenytoin SCHEMBL2140317 0.87 CYP2C9 (0.96) CYP2C9CACNA1FALDH1A1MAPTHTR2A
Phenytoin SCHEMBL5160618 0.87 CYP2C9 (0.96) CYP2C9CACNA1FALDH1A1MAPTHTR2A
Phenytoin SCHEMBL2905857 0.87 CYP2C9 (0.96) CYP2C9CACNA1FALDH1A1MAPTHTR2A
Phenytoin SCHEMBL10406406 0.87 CYP2C9 (0.96) CYP2C9CACNA1FALDH1A1MAPTHTR2A
Phenytoin SCHEMBL29521348 0.87 CYP2C9 (0.96) CYP2C9CACNA1FALDH1A1MAPTHTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005786-A1 THERAPEUTIC INVENTION KAPOOR RAJU (GB) 2013-01-03 US disclosed
US-4006232-A Therapeutic method of treating cardiac arrhythmias utilizing 3-substituted diphenylhydantoins MILES LABORATORIES, INC. (US) 1977-02-01 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-20130005786-A1 THERAPEUTIC INVENTION AQP4, PMP22, NHERF1 CYP2C9 2791/4885CACNA1F 70/4885ALDH1A1 1943/4885

“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.