SCHEMBL3223328

SCHEMBL3223328

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.59
MAPT P10636 4/20 0.51
HTT P42858 2/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
TP53 P04637 3/20 0.50
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 4/20 0.49
MAPK1 P28482 3/20 0.49
P2RX1 P51575 1/20 0.48
TGM2 P21980 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47

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
SCHEMBL3221810 0.86 ADORA3 (0.63) CXCR2MAPTHTTMAOBMEN1
SCHEMBL3220508 0.84 CXCR2 (0.59) CXCR2MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL3225340 0.84 CXCR2 (0.71) CXCR2MAOBMEN1KMT2ARAB9A
SCHEMBL3217745 0.84 CXCR2 (0.59) CXCR2MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL3225489 0.83 CXCR2 (0.74) CXCR2MAPTMAOBMEN1KMT2A
SCHEMBL3217766 0.83 CXCR2 (0.73) CXCR2MAPTHTTMEN1KMT2A
SCHEMBL3220093 0.83 CXCR2 (0.58) CXCR2MEN1KMT2ARAB9ANPC1
SCHEMBL3225218 0.81 MAPT (0.71) CXCR2MAPTHTTMAOBMEN1
SCHEMBL3228246 0.81 MEN1 (0.61) CXCR2MAPTHTTMEN1KMT2A
SCHEMBL3221465 0.81 NPC1 (0.65) CXCR2HTTKMT2ATP53RAB9A

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 1447/4885MAPT 2060/4885HTT 1880/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT CXCR2 1447/4885MAPT 2060/4885HTT 1880/4885

“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.