SCHEMBL4119332

SCHEMBL4119332

O=c1cc(CNc2ccc(N3CCCCC3)cc2)c2ccc(F)c(F)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 13/20 0.43
NOS1 P29475 12/20 0.43
MAPT P10636 4/20 0.42
MAPK1 P28482 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HTT P42858 3/20 0.42
GAA P10253 2/20 0.42
ALOX15 P16050 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
MPI P34949 1/20 0.42
KMT2A Q03164 1/20 0.42
NOS3 P29474 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
XBP1 P17861 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL13905670 0.81 NOS2 (0.58) NOS2NOS1GAAMEN1KMT2A
SCHEMBL4128670 0.78 NOS2 (0.52) NOS2NOS1MAPTALDH1A1MEN1
SCHEMBL4101790 0.74 NOS2 (0.62) NOS2NOS1NOS3
SCHEMBL4116968 0.73 NOS2 (0.62) NOS2NOS1NOS3
SCHEMBL4110901 0.72 MAPT (0.53) MAPTMAPK1KDM4EALDH1A1L3MBTL1
SCHEMBL13905709 0.72 NOS2 (0.50) NOS2NOS1NOS3
SCHEMBL13905669 0.71 ALDH1A1 (0.50) NOS2NOS1ALDH1A1ALOX15NOS3
SCHEMBL13905816 0.70 NOS2 (0.52) NOS2NOS1NOS3
SCHEMBL3989793 0.69 NOS2 (0.69) NOS2NOS1NOS3
SCHEMBL13847371 0.69 NOS2 (0.59) 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 8 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
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
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US 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
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 1/4885NOS1 2/4885MAPT 4128/4885

“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.