SCHEMBL6311672

SCHEMBL6311672

C=C(C)CN1CCNC(=O)c2sc3ccc([N+](=O)[O-])cc3c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 3/20 0.36
PRKD3 O94806 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
MAPT P10636 6/20 0.36
GLA P06280 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CDK1 P06493 2/20 0.34
MAPKAPK2 P49137 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6311645 0.87 MAPT (0.40) PRKD1PRKD3PRKD2MAPTGLA
SCHEMBL6313431 0.86 PRKD1 (0.36) PRKD1PRKD3PRKD2MAPTGLA
SCHEMBL6314245 0.85 MAPT (0.39) PRKD1PRKD3PRKD2MAPTGLA
SCHEMBL6311194 0.85 MAPT (0.37) PRKD1PRKD3PRKD2MAPTGLA
SCHEMBL6313053 0.84 MAPT (0.40) PRKD1PRKD3PRKD2MAPTGLA
SCHEMBL6320041 0.84 PRKD1 (0.36) PRKD1PRKD3PRKD2MAPTCDK1
SCHEMBL6310763 0.84 PER2 (0.38) PRKD1PRKD3PRKD2MAPTCDK1
SCHEMBL6311862 0.83 MAPT (0.40) PRKD1PRKD3PRKD2MAPTGLA
SCHEMBL6313536 0.82 KAT2B (0.45) SMN1; SMN2KMT2A
SCHEMBL6312257 0.82 MAPKAPK2 (0.55) PRKD1MAPTTDP1CDK1MAPKAPK2

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 6 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
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 PRKD1 3179/4885PRKD3 2993/4885PRKD2 3398/4885

“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.