SCHEMBL3225489

SCHEMBL3225489

O=C(Nc1ccc(Br)cc1)c1ccc(Cl)[n+]([O-])c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.74
TP53 P04637 1/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.48
ATM Q13315 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL3227245 0.88 CXCR2 (0.78) CXCR2KMT2AMEN1MAPTLMNA
SCHEMBL3228209 0.85 CXCR2 (1.00) CXCR2KMT2AMEN1ATMNPC1
SCHEMBL3228417 0.85 CXCR2 (0.74) CXCR2KMT2AMEN1MAPTKDM4E
SCHEMBL3218345 0.85 CXCR2 (0.74) CXCR2KMT2AMEN1MAPTLMNA
SCHEMBL3217766 0.84 CXCR2 (0.73) CXCR2KMT2AMEN1MAPTKDM4E
SCHEMBL3223328 0.83 CXCR2 (0.59) CXCR2TP53KMT2AMEN1MAPT
SCHEMBL3225218 0.83 MAPT (0.71) CXCR2KMT2AMEN1MAPTKDM4E
SCHEMBL3230684 0.82 CXCR2 (0.70) CXCR2TP53KMT2AMEN1MAPT
SCHEMBL3227229 0.81 CXCR2 (0.68) CXCR2KMT2AMEN1MAPTKDM4E
SCHEMBL3225459 0.81 CXCR2 (0.68) CXCR2KMT2AMEN1MAPTATM

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 1447/4885TP53 4461/4885KMT2A 2723/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT CXCR2 1447/4885TP53 4461/4885KMT2A 2723/4885

“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.