SCHEMBL6313402

SCHEMBL6313402

O=C1NCCN(Cc2ccccc2F)c2c1sc1ccc([N+](=O)[O-])cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE3A Q14432 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 2/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6313536 0.88 KAT2B (0.45) POLBMEN1KMT2AG6PDTLR9
SCHEMBL6312660 0.85 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EPOLBCYP1A2
SCHEMBL6311645 0.82 MAPT (0.40) MAPTCYP1A2MEN1KMT2AG6PD
SCHEMBL6318750 0.81 MAPT (0.49) ALDH1A1MAPTKDM4EPOLBCYP2C19
SCHEMBL6314245 0.81 MAPT (0.39) ALDH1A1MAPTPOLBSMN1; SMN2LMNA
SCHEMBL6311194 0.81 MAPT (0.37) MAPTG6PDTLR9SMN1; SMN2LMNA
SCHEMBL6313053 0.80 MAPT (0.40) ALDH1A1MAPTG6PDTLR9SMN1; SMN2
SCHEMBL6318572 0.79 CDK1 (0.43) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL6311862 0.79 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6313431 0.78 PRKD1 (0.36) MAPTPOLBPDE4ASMN1; SMN2LMNA

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 ALDH1A1 533/4885MAPT 2154/4885KDM4E 692/4885

“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.