SCHEMBL3218503

SCHEMBL3218503

O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(Cl)[n+]([O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.64
KCNQ3 O43525 2/20 0.56
KCNQ2 O43526 2/20 0.56
KCNE1 P15382 2/20 0.56
KCNQ1 P51787 2/20 0.56
GRM4 Q14833 1/20 0.53
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
XBP1 P17861 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
AR P10275 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 3/20 0.45
TP53 P04637 1/20 0.45
TMPRSS4 Q9NRS4 1/20 0.44
HTR2A P28223 1/20 0.44
GAA P10253 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
SCHEMBL3218645 0.89 CXCR2 (0.62) CXCR2GRM4MAPTNPSR1XBP1
SCHEMBL3227775 0.86 CXCR2 (0.72) CXCR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3225333 0.85 CXCR2 (0.71) CXCR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3223247 0.82 CXCR2 (0.67) CXCR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3218512 0.81 CXCR2 (0.72) CXCR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3220045 0.80 CXCR2 (0.67) CXCR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3230346 0.80 CXCR2 (0.63) CXCR2MAPTMEN1KMT2ATMPRSS4
SCHEMBL3227232 0.79 MAPT (0.63) CXCR2MAPTMEN1KMT2ANPC1
SCHEMBL3228209 0.79 CXCR2 (1.00) CXCR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3227245 0.79 CXCR2 (0.78) CXCR2KCNQ3KCNQ2KCNE1KCNQ1

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 CXCR2 1447/4885KCNQ3 1517/4885KCNQ2 1152/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT CXCR2 1447/4885KCNQ3 1517/4885KCNQ2 1152/4885

“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.