SCHEMBL4697243

SCHEMBL4697243

CN1C(=O)C(NC(=O)OCc2ccccc2)NC(=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.50
SENP1 Q9P0U3 1/20 0.45
BRD4 O60885 2/20 0.43
BRD2 P25440 2/20 0.43
BRD3 Q15059 2/20 0.43
ROCK2 O75116 1/20 0.42
CCKBR P32239 3/20 0.42
KCNH2 Q12809 1/20 0.42
CASP3 P42574 1/20 0.42
CTRB1 P17538 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL12879744 0.85 MEN1 (0.48) ALDH1A1GAA
SCHEMBL7196152 0.79 ALDH1A1 (0.41) ALDH1A1GAA
SCHEMBL15964676 0.78 SCN9A (0.50) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL7196147 0.77 ALDH1A1 (0.39) ALDH1A1GAA
SCHEMBL9256449 0.77 SCN9A (0.61) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL9256454 0.77 SCN9A (0.61) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL6299832 0.77 SCN9A (0.54) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL9256442 0.77 SCN9A (0.61) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL6300291 0.77 SCN9A (0.61) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL28513970 0.75 ALDH1A1 (0.52) SCN9ASENP1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326849-B1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE MERCK SHARP & DOHME (GB) 2008-07-16 EP disclosed
US-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-6995155-B2 Benzodiazepine derivatives as inhibitors of gamma secretase MERCK SHARP & DOHME LIMITED (GB) 2006-02-07 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 US disclosed
US-20040024203-A1 Benzodiazepine derivatives as inhibitors of gamma secretase MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US disclosed
EP-1326849-A1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE Merck Sharp & Dohme Limited (GB) 2003-07-16 EP disclosed
WO-2002030912-A1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE MERCK SHARP & DOHME LIMITED (GB) 2002-04-18 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 (2 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-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP SCN9A 305/4885SENP1 528/4885BRD4 596/4885
US-20040024203-A1 Benzodiazepine derivatives as inhibitors of gamma secretase BACE1, BACE2, PSEN1 SCN9A 337/4885SENP1 497/4885BRD4 731/4885

“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.