SCHEMBL3218645

SCHEMBL3218645

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.62
KDR P35968 2/20 0.58
MAPT P10636 5/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
RAB9A P51151 1/20 0.55
GRM4 Q14833 1/20 0.54
PDK1 Q15118 1/20 0.53
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA7 P43166 4/20 0.53
CA9 Q16790 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
TMPRSS4 Q9NRS4 1/20 0.53
TP53 P04637 2/20 0.52
CNR2 P34972 1/20 0.50
POLB P06746 1/20 0.48

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
SCHEMBL3218503 0.89 CXCR2 (0.64) CXCR2KDRMAPTLMNAGAA
SCHEMBL3228267 0.84 CXCR2 (0.68) CXCR2MAPTLMNARAB9AMEN1
SCHEMBL10656168 0.82 KDR (0.61) KDRMAPTLMNAGAARAB9A
SCHEMBL3218512 0.82 CXCR2 (0.72) CXCR2MAPTRAB9ANPSR1XBP1
SCHEMBL11793308 0.81 KDR (0.68) KDRMAPTLMNAGAARAB9A
SCHEMBL3230346 0.81 CXCR2 (0.63) CXCR2KDRMAPTMEN1KMT2A
SCHEMBL3225333 0.81 CXCR2 (0.71) CXCR2MAPTRAB9ACA2NPSR1
SCHEMBL3973967 0.80 KDR (0.66) KDRMAPTLMNAGAARAB9A
SCHEMBL3227232 0.80 MAPT (0.63) CXCR2MAPTLMNAGAARAB9A
SCHEMBL28389908 0.80 KDR (0.61) KDRMAPTLMNAGAARAB9A

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 1447/4885KDR 2792/4885MAPT 2060/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT CXCR2 1447/4885KDR 2792/4885MAPT 2060/4885

“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.