SCHEMBL6311784

SCHEMBL6311784

COc1ccc2sc3c(c2c1)N(Cc1cccc([N+](=O)[O-])c1)CCNC3=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 10/20 0.48
MAPKAPK2 P49137 10/20 0.48
PRKD1 Q15139 2/20 0.46
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLA2G2A P14555 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL6318572 0.94 CDK1 (0.43) CDK1MAPKAPK2PRKD1MAPTSMN1; SMN2
SCHEMBL6319983 0.91 MAPKAPK2 (0.50) CDK1MAPKAPK2PRKD1PIK3R1PIK3CA
SCHEMBL6320033 0.90 MAPKAPK2 (0.55) CDK1MAPKAPK2PRKD1MAPTKDM4E
SCHEMBL6311665 0.87 MAPKAPK2 (0.52) CDK1MAPKAPK2PRKD1MAPTALDH1A1
SCHEMBL6320066 0.87 MAPKAPK2 (0.56) CDK1MAPKAPK2PRKD1MAPTKDM4E
SCHEMBL6314119 0.86 CDK1 (0.51) CDK1MAPKAPK2PRKD1MAPTPLA2G2A
SCHEMBL6320038 0.85 MAPKAPK2 (0.58) CDK1MAPKAPK2PRKD1MAPTKDM4E
SCHEMBL6313536 0.84 KAT2B (0.45) SMN1; SMN2
SCHEMBL6318750 0.84 MAPT (0.49) MAPTSMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL6312608 0.83 CDK1 (0.46) CDK1MAPKAPK2PRKD1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US claimed
US-20040116410-A1 Diazepinones as antiviral agents CHO HIDETSURA (JP) 2004-06-17 US claimed
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 WO claimed
US-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US disclosed
US-20040116410-A1 Diazepinones as antiviral agents CHO HIDETSURA (JP) 2004-06-17 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-20050250765-A1 Diazepinones as antiviral agents ZC3HAV1, ECI1, ZC3HAV1L CDK1 274/4885MAPKAPK2 3952/4885PRKD1 3179/4885

“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.