SCHEMBL4128670

SCHEMBL4128670

O=c1cc(CNc2ccc(F)c(Cl)c2)c2ccc(F)c(F)c2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 15/20 0.52
PLA2G1B P04054 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
NOS1 P29475 13/20 0.49
NOS3 P29474 10/20 0.49
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4101790 0.87 NOS2 (0.62) NOS2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13905670 0.84 NOS2 (0.58) NOS2NOS1NOS3MEN1KMT2A
SCHEMBL4105379 0.81 MEN1 (0.60) PLA2G1BCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4116968 0.78 NOS2 (0.62) NOS2NOS1NOS3
SCHEMBL4119332 0.78 NOS2 (0.43) NOS2NOS1NOS3MAPTALDH1A1
SCHEMBL4107374 0.76 NOS2 (0.53) NOS2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13905816 0.75 NOS2 (0.52) NOS2NOS1NOS3
SCHEMBL13905709 0.74 NOS2 (0.50) NOS2CYP2C9NOS1NOS3
SCHEMBL13847371 0.74 NOS2 (0.59) NOS2CYP2C9NOS1NOS3
SCHEMBL4118665 0.74 NOS2 (0.54) NOS2NOS1NOS3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117778-A9 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS INC (US) 2009-05-22 WO disclosed
EP-1986747-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS Kalypsys, Inc. (US) 2008-11-05 EP disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US disclosed
WO-2007117778-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-10-18 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-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS NOS2, NOS1, NQO2 NOS2 1/4885PLA2G1B 2699/4885CYP1A2 54/4885

“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.