SCHEMBL6312376

SCHEMBL6312376

O=C1NCCNc2c1sc1ccc([N+](=O)[O-])cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.59
MAPKAPK2 P49137 6/20 0.59
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
PRKD1 Q15139 5/20 0.43
PRKD3 O94806 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP1 P09874 1/20 0.39
AHR P35869 1/20 0.39
MCL1 Q07820 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
G6PD P11413 1/20 0.39
TLR9 Q9NR96 1/20 0.39

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
SCHEMBL9920647 0.82 PRKD1 (0.67) CDK1MAPKAPK2MAPTTDP1LMNA
SCHEMBL15472007 0.77 MAPKAPK2 (0.68) CDK1MAPKAPK2MAPTLMNAPRKD1
SCHEMBL6311645 0.75 MAPT (0.40) CDK1MAPKAPK2MAPTTDP1LMNA
SCHEMBL6317783 0.74 MAPKAPK2 (1.00) CDK1MAPKAPK2MAPTTDP1PRKD1
SCHEMBL6314245 0.74 MAPT (0.39) CDK1MAPKAPK2MAPTTDP1LMNA
SCHEMBL6311194 0.74 MAPT (0.37) CDK1MAPKAPK2MAPTTDP1LMNA
SCHEMBL6313053 0.73 MAPT (0.40) CDK1MAPKAPK2MAPTTDP1LMNA
SCHEMBL6313536 0.73 KAT2B (0.45) POLBSMN1; SMN2G6PDTLR9
SCHEMBL6311862 0.72 MAPT (0.40) CDK1MAPKAPK2MAPTTDP1LMNA
SCHEMBL11118149 0.72 SMN1; SMN2 (0.50) MAPTTDP1LMNAHTTPOLB

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 CDK1 274/4885MAPKAPK2 3952/4885MAPT 2154/4885

“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.