SCHEMBL3220123

SCHEMBL3220123

O=C(Nc1cccc(SC(F)(F)F)c1)c1ccc(Cl)[n+]([O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.55
RXFP1 Q9HBX9 3/20 0.46
BRAF P15056 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
TRPV1 Q8NER1 6/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 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
SCHEMBL3228246 0.84 MEN1 (0.61) CXCR2MEN1KMT2ACYP1A2CYP2D6
SCHEMBL3227232 0.82 MAPT (0.63) CXCR2RXFP1MEN1KMT2ANPC1
SCHEMBL3225340 0.80 CXCR2 (0.71) CXCR2MEN1KMT2ANPC1RAB9A
SCHEMBL3221810 0.80 ADORA3 (0.63) CXCR2MEN1KMT2AADORA3ADORA2A
SCHEMBL3229652 0.79 NPC1 (0.59) CXCR2BRAFNPC1LMNAMAPT
SCHEMBL3220508 0.78 CXCR2 (0.59) CXCR2BRAFMEN1KMT2AADORA3
SCHEMBL3223328 0.78 CXCR2 (0.59) CXCR2MEN1KMT2AADORA3ADORA2A
SCHEMBL3217745 0.78 CXCR2 (0.59) CXCR2MEN1KMT2ANR1H4NPC1
SCHEMBL3217766 0.77 CXCR2 (0.73) CXCR2MEN1KMT2ANPC1MAPT
SCHEMBL3220093 0.77 CXCR2 (0.58) CXCR2MEN1KMT2AADORA3ADORA2A

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 1447/4885RXFP1 3596/4885BRAF 1931/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT CXCR2 1447/4885RXFP1 3596/4885BRAF 1931/4885

“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.