SCHEMBL6313536

SCHEMBL6313536

O=C1NCCN(Cc2ccccc2)c2c1sc1ccc([N+](=O)[O-])cc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.45
G6PD P11413 1/20 0.40
TLR9 Q9NR96 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 2/20 0.39
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP4 P49662 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL6318750 0.91 MAPT (0.49) KAT2BPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL6313402 0.88 ALDH1A1 (0.47) G6PDTLR9POLBSMN1; SMN2MEN1
SCHEMBL6318572 0.87 CDK1 (0.43) POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6311645 0.86 MAPT (0.40) G6PDTLR9SMN1; SMN2MEN1KMT2A
SCHEMBL6314245 0.84 MAPT (0.39) POLBSMN1; SMN2
SCHEMBL6311194 0.84 MAPT (0.37) G6PDTLR9SMN1; SMN2
SCHEMBL6311784 0.84 CDK1 (0.48) SMN1; SMN2
SCHEMBL6311332 0.84 MAPT (0.47) POLBMEN1KMT2A
SCHEMBL6313053 0.84 MAPT (0.40) G6PDTLR9SMN1; SMN2
SCHEMBL6319983 0.84 MAPKAPK2 (0.50) SMN1; SMN2

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 4 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
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 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 (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 KAT2B 2064/4885G6PD 32/4885TLR9 2498/4885

“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.