SCHEMBL6311645

SCHEMBL6311645

CCN1CCNC(=O)c2sc3ccc([N+](=O)[O-])cc3c21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
GLA P06280 1/20 0.38
RECQL P46063 1/20 0.38
PRKD1 Q15139 4/20 0.37
CDK1 P06493 3/20 0.37
MAPKAPK2 P49137 3/20 0.37
PRKD3 O94806 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
G6PD P11413 1/20 0.35
TLR9 Q9NR96 1/20 0.35

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
SCHEMBL6314245 0.92 MAPT (0.39) MAPTLMNAHTTTDP1SMN1; SMN2
SCHEMBL6311862 0.90 MAPT (0.40) MAPTLMNAHTTTDP1SMN1; SMN2
SCHEMBL6313053 0.89 MAPT (0.40) MAPTLMNAHTTTDP1SMN1; SMN2
SCHEMBL6311194 0.87 MAPT (0.37) MAPTLMNAHTTTDP1SMN1; SMN2
SCHEMBL6313431 0.87 PRKD1 (0.36) MAPTLMNAHTTTDP1SMN1; SMN2
SCHEMBL6311672 0.87 PRKD1 (0.36) MAPTLMNAHTTTDP1SMN1; SMN2
SCHEMBL6313536 0.86 KAT2B (0.45) SMN1; SMN2MEN1KMT2AG6PDTLR9
SCHEMBL6313402 0.82 ALDH1A1 (0.47) MAPTLMNAHTTTDP1SMN1; SMN2
SCHEMBL6318750 0.82 MAPT (0.49) MAPTLMNATDP1SMN1; SMN2RECQL
SCHEMBL6318572 0.82 CDK1 (0.43) MAPTLMNAHTTSMN1; SMN2PRKD1

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
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
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 MAPT 2154/4885LMNA 3944/4885HTT 4160/4885

“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.