SCHEMBL3224566

SCHEMBL3224566

O=C(NCc1ccc(F)cc1F)c1ccc(Cl)[n+]([O-])c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.57
EPHX2 P34913 3/20 0.46
NR1H4 Q96RI1 2/20 0.46
HSD17B13 Q7Z5P4 1/20 0.44
PPARG P37231 5/20 0.43
MAOB P27338 1/20 0.42
CA2 P00918 1/20 0.42
KLKB1 P03952 1/20 0.41
HTR7 P34969 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
NLRP1 Q9C000 1/20 0.40
MET P08581 1/20 0.40
NNMT P40261 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
SCHEMBL3230330 0.82 CXCR2 (0.67) CXCR2PPARGCA2LMNA
SCHEMBL3225099 0.79 PPARG (0.55) CXCR2EPHX2NR1H4PPARGMAOB
SCHEMBL6782132 0.76 EPHX2 (0.56) EPHX2NR1H4PPARGMAOB
SCHEMBL678099 0.76 CA2 (0.70) EPHX2NR1H4CA2
SCHEMBL3962896 0.76 LMNA (0.60) EPHX2NR1H4PPARGLMNAMAPK1
SCHEMBL5643140 0.75 EPHX2 (0.54) EPHX2NR1H4HSD17B13PPARGMAOB
SCHEMBL5645307 0.75 EPHX2 (0.58) EPHX2NR1H4PPARGMAOBNNMT
SCHEMBL3460904 0.74 EPHX2 (0.57) EPHX2NR1H4PPARGMAOB
SCHEMBL3217701 0.74 CA2 (0.56) CXCR2PPARGCA2LMNAMAPK1
SCHEMBL3228209 0.73 CXCR2 (1.00) CXCR2

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-20100063105-A1 PHARMACEUTICAL USES AND SYNTHESIS OF NICOTINANILIDE-N-OXIDES UCB SA (GB) 2010-03-11 US claimed
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
WO-2002053544-A1 PHARMACEUTICAL USES AND SYNTHESIS OF NICOTINANILIDE-N-OXIDES DARWIN DISCOVERY LTD. (GB) 2002-07-11 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 (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 CXCR2 1447/4885EPHX2 882/4885NR1H4 1618/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT CXCR2 1447/4885EPHX2 882/4885NR1H4 1618/4885

“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.