SCHEMBL6311862

SCHEMBL6311862

CCCCN1CCNC(=O)c2sc3ccc([N+](=O)[O-])cc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
GLA P06280 1/20 0.40
RECQL P46063 1/20 0.40
RIPK1 Q13546 2/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CDK1 P06493 2/20 0.35
MAPKAPK2 P49137 2/20 0.35
PRKD1 Q15139 2/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PRKD3 O94806 1/20 0.34
PRKD2 Q9BZL6 1/20 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
SCHEMBL6314245 0.94 MAPT (0.39) MAPTGLARECQLRIPK1LMNA
SCHEMBL6311645 0.90 MAPT (0.40) MAPTGLARECQLLMNAHTT
SCHEMBL6313053 0.85 MAPT (0.40) MAPTGLARECQLLMNAHTT
SCHEMBL6311194 0.84 MAPT (0.37) MAPTGLARECQLLMNAHTT
SCHEMBL6312417 0.83 CDK1 (0.37) MAPTCDK1MAPKAPK2PRKD1MEN1
SCHEMBL6319930 0.83 CDK1 (0.37) MAPTCDK1MAPKAPK2PRKD1MEN1
SCHEMBL6311672 0.83 PRKD1 (0.36) MAPTGLARECQLLMNAHTT
SCHEMBL6313431 0.83 PRKD1 (0.36) MAPTGLARECQLLMNAHTT
SCHEMBL6313536 0.83 KAT2B (0.45) SMN1; SMN2ACHEMEN1KMT2A
SCHEMBL6315169 0.82 MAPKAPK2 (0.56) MAPTTDP1CDK1MAPKAPK2PRKD1

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 2154/4885GLA 2024/4885RECQL 441/4885

“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.