SCHEMBL3230346

SCHEMBL3230346

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)[n+]([O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.63
P2RX1 P51575 8/20 0.57
JUN P05412 3/20 0.56
NFKB1 P19838 3/20 0.56
NFKB2 Q00653 3/20 0.56
RELA Q04206 3/20 0.56
P2RX4 Q99571 4/20 0.50
P2RX7 Q99572 4/20 0.50
TMPRSS4 Q9NRS4 3/20 0.50
MEN1 O00255 1/20 0.50
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
KDR P35968 1/20 0.50
FLT3 P36888 1/20 0.50
KMT2A Q03164 1/20 0.50
MYLK Q15746 1/20 0.50
MAP4K5 Q9Y4K4 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL3227232 0.88 MAPT (0.63) CXCR2P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL3218512 0.88 CXCR2 (0.72) CXCR2HDAC3HDAC8HDAC6MAPT
SCHEMBL3218645 0.81 CXCR2 (0.62) CXCR2TMPRSS4MEN1KDRKMT2A
SCHEMBL11799771 0.80 P2RX1 (0.71) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL3218503 0.80 CXCR2 (0.64) CXCR2TMPRSS4MEN1KDRKMT2A
SCHEMBL3223167 0.79 CXCR2 (0.63) CXCR2MEN1KMT2A
SCHEMBL3228209 0.77 CXCR2 (1.00) CXCR2MEN1KMT2A
SCHEMBL3217766 0.77 CXCR2 (0.73) CXCR2MEN1KMT2AHDAC8HDAC6
SCHEMBL3227245 0.77 CXCR2 (0.78) CXCR2MEN1KMT2AMAPT
SCHEMBL3227775 0.77 CXCR2 (0.72) CXCR2MAPT

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 1447/4885P2RX1 180/4885JUN 3993/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT CXCR2 1447/4885P2RX1 180/4885JUN 3993/4885

“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.