SCHEMBL3225459

SCHEMBL3225459

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

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.68
KMT2A Q03164 10/20 0.58
MEN1 O00255 9/20 0.58
NPC1 O15118 4/20 0.58
POLB P06746 3/20 0.58
RAB9A P51151 3/20 0.58
MITF O75030 2/20 0.58
ATM Q13315 1/20 0.55
MAPT P10636 6/20 0.54
MAPK1 P28482 2/20 0.54
HTT P42858 1/20 0.53
P4HTM Q9NXG6 1/20 0.52
PSMB5 P28074 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 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
SCHEMBL3227245 0.84 CXCR2 (0.78) CXCR2KMT2AMEN1NPC1RAB9A
SCHEMBL23898948 0.82 KMT2A (0.83) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL8572381 0.82 KMT2A (0.83) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL9134339 0.82 KMT2A (0.83) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL3225489 0.81 CXCR2 (0.74) CXCR2KMT2AMEN1NPC1RAB9A
SCHEMBL3228417 0.81 CXCR2 (0.74) CXCR2KMT2AMEN1NPC1POLB
SCHEMBL3218345 0.81 CXCR2 (0.74) CXCR2KMT2AMEN1NPC1POLB
SCHEMBL3228209 0.81 CXCR2 (1.00) CXCR2KMT2AMEN1NPC1POLB
SCHEMBL10940496 0.81 KMT2A (0.71) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL3217766 0.81 CXCR2 (0.73) CXCR2KMT2AMEN1NPC1POLB

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 1447/4885KMT2A 2723/4885MEN1 2041/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT CXCR2 1447/4885KMT2A 2723/4885MEN1 2041/4885

“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.