SCHEMBL6311194

SCHEMBL6311194

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
PRKD1 Q15139 3/20 0.35
PRKD3 O94806 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
GLA P06280 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
G6PD P11413 1/20 0.34
TLR9 Q9NR96 1/20 0.34
CDK1 P06493 2/20 0.34
MAPKAPK2 P49137 2/20 0.34

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
SCHEMBL6313431 0.89 PRKD1 (0.36) MAPTLMNAHTTTDP1NCOA1
SCHEMBL6311645 0.87 MAPT (0.40) MAPTLMNAHTTTDP1NCOA1
SCHEMBL6314245 0.85 MAPT (0.39) MAPTLMNAHTTTDP1NCOA1
SCHEMBL6311672 0.85 PRKD1 (0.36) MAPTLMNAHTTTDP1NCOA1
SCHEMBL6313053 0.84 MAPT (0.40) MAPTLMNAHTTTDP1NCOA1
SCHEMBL6313536 0.84 KAT2B (0.45) SMN1; SMN2G6PDTLR9
SCHEMBL6311862 0.84 MAPT (0.40) MAPTLMNAHTTTDP1NCOA1
SCHEMBL6313843 0.83 PIM1 (0.36) MAPTPRKD1PRKD3PRKD2CDK1
SCHEMBL6319901 0.83 PER2 (0.38) MAPTPRKD1PRKD3PRKD2CDK1
SCHEMBL7526817 0.81 ADRA2A (0.35) MAPTLMNAHTTTDP1SMN1; 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 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.