SCHEMBL6311127

SCHEMBL6311127

O=C1NCCN(Cc2ccccc2)c2c1sc1ccc(F)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PDE3B Q13370 2/20 0.38
PDE7A Q13946 2/20 0.38
PDE3A Q14432 2/20 0.38
CYP3A4 P08684 2/20 0.37
CYP17A1 P05093 1/20 0.37
PER2 O15055 2/20 0.37
CRY2 Q49AN0 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6311332 0.88 MAPT (0.47) POLBALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL6320066 0.84 MAPKAPK2 (0.56) ALDH1A1MAPTACHEKDM4E
SCHEMBL6319901 0.83 PER2 (0.38) POLBALDH1A1MAPTPER2CRY2
SCHEMBL6313536 0.83 KAT2B (0.45) POLBACHETLR9MEN1KMT2A
SCHEMBL6312093 0.82 PER2 (0.37) POLBALDH1A1MAPTPER2CRY2
SCHEMBL6319930 0.81 CDK1 (0.37) POLBALDH1A1MAPTPER2CRY2
SCHEMBL6312999 0.81 MAPT (0.57) POLBALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL6310763 0.81 PER2 (0.38) POLBALDH1A1MAPTPER2CRY2
SCHEMBL6313859 0.81 PER2 (0.38) POLBALDH1A1MAPTPER2CRY2
SCHEMBL6312660 0.80 ALDH1A1 (0.51) POLBALDH1A1MAPTCYP2C9CYP2C19

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 POLB 975/4885ALDH1A1 533/4885MAPT 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.