SCHEMBL3218345

SCHEMBL3218345

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 7/20 0.74
TRPV1 Q8NER1 3/20 0.51
PRMT1 Q99873 2/20 0.44
HIF1A Q16665 2/20 0.44
EPAS1 Q99814 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL3227245 0.88 CXCR2 (0.78) CXCR2PRMT1CA1MAPTHSD17B10
SCHEMBL3225489 0.85 CXCR2 (0.74) CXCR2MAPTNPC1RAB9AMEN1
SCHEMBL3228417 0.85 CXCR2 (0.74) CXCR2CA1CA2MAPTHSD17B10
SCHEMBL3228209 0.85 CXCR2 (1.00) CXCR2NPC1RAB9AMEN1POLB
SCHEMBL3217766 0.84 CXCR2 (0.73) CXCR2PRMT1MAPTNPC1RAB9A
SCHEMBL3220508 0.83 CXCR2 (0.59) CXCR2HIF1AEPAS1NPC1RAB9A
SCHEMBL3226944 0.83 CXCR2 (0.63) CXCR2MAPTNPC1RAB9AMEN1
SCHEMBL3230684 0.82 CXCR2 (0.70) CXCR2MAPTHSD17B10NPC1RAB9A
SCHEMBL3225492 0.81 CXCR2 (0.64) CXCR2MAPTNPC1RAB9AMEN1
SCHEMBL3225459 0.81 CXCR2 (0.68) CXCR2MAPTCA12CA9NPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides DARWIN DISCOVERY LIMITED (GB) 2005-02-03 US claimed
US-20030004189-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides DARWIN DISCOVERY LTD. (GB) 2003-01-02 US claimed
WO-2002053544-A1 PHARMACEUTICAL USES AND SYNTHESIS OF NICOTINANILIDE-N-OXIDES DARWIN DISCOVERY LTD. (GB) 2002-07-11 WO claimed
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
US-20030004189-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides DARWIN DISCOVERY LTD. (GB) 2003-01-02 US disclosed
WO-2002053544-A1 PHARMACEUTICAL USES AND SYNTHESIS OF NICOTINANILIDE-N-OXIDES DARWIN DISCOVERY LTD. (GB) 2002-07-11 WO 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 (3 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 1447/4885TRPV1 890/4885PRMT1 1614/4885
US-20030004189-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT CXCR2 1447/4885TRPV1 890/4885PRMT1 1614/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT CXCR2 1447/4885TRPV1 890/4885PRMT1 1614/4885

“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.