SCHEMBL3226944

SCHEMBL3226944

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

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.63
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
MAPT P10636 5/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
MAOB P27338 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 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
SCHEMBL3228267 0.87 CXCR2 (0.68) CXCR2NPC1RAB9AMEN1KMT2A
SCHEMBL3225218 0.84 MAPT (0.71) CXCR2NPC1RAB9AMEN1KMT2A
SCHEMBL3225333 0.84 CXCR2 (0.71) CXCR2NPC1RAB9AMEN1KMT2A
SCHEMBL3218345 0.83 CXCR2 (0.74) CXCR2NPC1RAB9AMEN1KMT2A
SCHEMBL3220508 0.81 CXCR2 (0.59) CXCR2NPC1RAB9AMEN1KMT2A
SCHEMBL3227245 0.80 CXCR2 (0.78) CXCR2NPC1RAB9AMEN1KMT2A
SCHEMBL3225492 0.80 CXCR2 (0.64) CXCR2NPC1RAB9AMEN1KMT2A
SCHEMBL3227775 0.80 CXCR2 (0.72) CXCR2NPC1RAB9AMAPTMAOB
SCHEMBL3218645 0.78 CXCR2 (0.62) CXCR2RAB9AMEN1KMT2AMAPT
SCHEMBL3221810 0.78 ADORA3 (0.63) CXCR2NPC1RAB9AMEN1KMT2A

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 1447/4885NPC1 394/4885RAB9A 1926/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT CXCR2 1447/4885NPC1 394/4885RAB9A 1926/4885

“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.