SCHEMBL6312660

SCHEMBL6312660

O=C1NCCN(Cc2ccccc2F)c2c1sc1ccc(Cl)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
KDM4E B2RXH2 3/20 0.51
CYP1A2 P05177 2/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE7A Q13946 1/20 0.37
PDE3A Q14432 1/20 0.37
KMT2A Q03164 3/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 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 0.87 MAPT (0.47) ALDH1A1MAPTCYP2C9CYP2C19KDM4E
SCHEMBL6313402 0.85 ALDH1A1 (0.47) ALDH1A1MAPTCYP2C9CYP2C19KDM4E
SCHEMBL6312999 0.83 MAPT (0.57) ALDH1A1MAPTCYP2C9CYP2C19POLB
SCHEMBL6311127 0.80 POLB (0.44) ALDH1A1MAPTCYP2C9CYP2C19KDM4E
SCHEMBL6313843 0.79 PIM1 (0.36) MAPTCYP2C9CYP2C19KDM4EPIM1
SCHEMBL6314107 0.78 MAPKAPK2 (0.51) ALDH1A1MAPTKDM4ECYP1A2L3MBTL1
SCHEMBL6312608 0.78 CDK1 (0.46) ALDH1A1MAPTCYP2C9CYP2C19KDM4E
SCHEMBL6312417 0.77 CDK1 (0.37) MAPTCYP2C9CYP2C19KMT2AMEN1
SCHEMBL6320041 0.76 PRKD1 (0.36) MAPTCYP2C9CYP2C19PIM1PIM2
SCHEMBL6320340 0.76 PIM1 (0.37) MAPTCYP2C9CYP2C19PIM1PIM2

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 ALDH1A1 533/4885MAPT 2154/4885CYP2C9 593/4885

“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.