SCHEMBL3220045

SCHEMBL3220045

Cc1ccc(NC(=O)c2ccc(Cl)[n+]([O-])c2)cc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.67
KCNQ3 O43525 2/20 0.54
KCNQ2 O43526 2/20 0.54
KCNE1 P15382 2/20 0.54
KCNQ1 P51787 2/20 0.54
KCNQ5 Q9NR82 1/20 0.53
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TP53 P04637 3/20 0.46
BRD4 O60885 1/20 0.45

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
SCHEMBL3223247 0.90 CXCR2 (0.67) CXCR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3227775 0.88 CXCR2 (0.72) CXCR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3225492 0.88 CXCR2 (0.64) CXCR2KCNQ3KCNQ2POLBNPC1
SCHEMBL3225333 0.84 CXCR2 (0.71) CXCR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3221365 0.84 CXCR2 (0.63) CXCR2KCNQ3KCNQ2ALDH1A1NPC1
SCHEMBL3228211 0.82 CXCR2 (0.60) CXCR2ALDH1A1POLBNPC1RAB9A
SCHEMBL3228209 0.81 CXCR2 (1.00) CXCR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3218503 0.80 CXCR2 (0.64) CXCR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3228267 0.80 CXCR2 (0.68) CXCR2POLBNPC1RAB9AMAPT
SCHEMBL3225340 0.79 CXCR2 (0.71) CXCR2ALDH1A1NPC1RAB9AKMT2A

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
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 1447/4885KCNQ3 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.