SCHEMBL3228209

SCHEMBL3228209

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 8/20 1.00
PTPN1 P18031 1/20 0.57
MITF O75030 1/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KCNQ3 O43525 1/20 0.52
KCNQ2 O43526 1/20 0.52
KCNE1 P15382 1/20 0.52
KCNQ1 P51787 1/20 0.52
BACE1 P56817 1/20 0.52
ENPP1 P22413 1/20 0.52
ENPP2 Q13822 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SNCA P37840 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 0.88 CXCR2 (0.78) CXCR2NPC1RAB9AKCNQ3KCNQ2
SCHEMBL3228417 0.85 CXCR2 (0.74) CXCR2NPC1RAB9AMEN1KMT2A
SCHEMBL3225489 0.85 CXCR2 (0.74) CXCR2NPC1RAB9AMEN1KMT2A
SCHEMBL3218345 0.85 CXCR2 (0.74) CXCR2NPC1RAB9AMEN1KMT2A
SCHEMBL3217766 0.84 CXCR2 (0.73) CXCR2PTPN1NPC1RAB9AMEN1
SCHEMBL3218512 0.84 CXCR2 (0.72) CXCR2NPC1RAB9AKCNQ3KCNQ2
SCHEMBL3227775 0.84 CXCR2 (0.72) CXCR2NPC1RAB9AKCNQ3KCNQ2
SCHEMBL3218388 0.84 CXCR2 (0.72) CXCR2PTPN1MITFNPC1RAB9A
SCHEMBL3216050 0.84 CXCR2 (0.72) CXCR2PTPN1MITFNPC1RAB9A
SCHEMBL3210879 0.84 CXCR2 (0.72) CXCR2PTPN1MITFNPC1RAB9A

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 9 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-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 1447/4885PTPN1 1254/4885MITF 4525/4885
US-20030004189-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT CXCR2 1447/4885PTPN1 1254/4885MITF 4525/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT CXCR2 1447/4885PTPN1 1254/4885MITF 4525/4885

“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.