SCHEMBL3225099

SCHEMBL3225099

O=C(NCc1ccc(F)c(F)c1)c1ccc(Cl)[n+]([O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.55
CXCR2 P25025 1/20 0.52
EPHX2 P34913 2/20 0.44
NR1H4 Q96RI1 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP13 P45452 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
NLRP1 Q9C000 1/20 0.41
MAOB P27338 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL3230330 0.86 CXCR2 (0.67) PPARGCXCR2CA1CA2MEN1
SCHEMBL3217701 0.80 CA2 (0.56) PPARGCXCR2ROCK2ROCK1CA2
SCHEMBL3227775 0.79 CXCR2 (0.72) CXCR2RAB9ALMNAMAOB
SCHEMBL3224566 0.79 CXCR2 (0.57) PPARGCXCR2EPHX2NR1H4CA2
SCHEMBL507217 0.77 PPARG (0.56) PPARGEPHX2NR1H4ROCK2ROCK1
SCHEMBL31377885 0.75 EPHX2 (0.60) PPARGEPHX2NR1H4ROCK2ROCK1
SCHEMBL3459872 0.74 ERCC1 (0.65) PPARGEPHX2NR1H4RAB9A
SCHEMBL14743597 0.73 PPARG (0.55) PPARGEPHX2NR1H4ROCK2ROCK1
SCHEMBL3225333 0.73 CXCR2 (0.71) CXCR2CA2MEN1KMT2ARAB9A
SCHEMBL1568038 0.72 L3MBTL1 (0.70) PPARGEPHX2NR1H4ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063105-A1 PHARMACEUTICAL USES AND SYNTHESIS OF NICOTINANILIDE-N-OXIDES UCB SA (GB) 2010-03-11 US disclosed
US-7141590-B2 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides UCB SA (GB) 2006-11-28 US disclosed
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides DARWIN DISCOVERY LIMITED (GB) 2005-02-03 US 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 (2 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-20100063105-A1 PHARMACEUTICAL USES AND SYNTHESIS OF NICOTINANILIDE-N-OXIDES NNT, NAPRT, NNMT PPARG 634/4885CXCR2 1447/4885EPHX2 882/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT PPARG 634/4885CXCR2 1447/4885EPHX2 882/4885

“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.