SCHEMBL3221365

SCHEMBL3221365

COc1ccc(NC(=O)c2ccc(Cl)[n+]([O-])c2)cc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.63
KCNQ3 O43525 1/20 0.57
KCNQ2 O43526 1/20 0.57
RAB9A P51151 9/20 0.53
SMN1; SMN2 Q16637 9/20 0.53
NPC1 O15118 8/20 0.53
NAMPT P43490 1/20 0.52
MAPT P10636 5/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GLA P06280 1/20 0.48
TP53 P04637 2/20 0.48
APLNR P35414 1/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL3223251 0.89 NPC1 (0.61) CXCR2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3227775 0.85 CXCR2 (0.72) CXCR2KCNQ3KCNQ2RAB9ANPC1
SCHEMBL3220045 0.84 CXCR2 (0.67) CXCR2KCNQ3KCNQ2RAB9ASMN1; SMN2
SCHEMBL3221362 0.81 GAA (0.59) CXCR2SMN1; SMN2NAMPTMAPTALDH1A1
SCHEMBL3223247 0.81 CXCR2 (0.67) CXCR2KCNQ3KCNQ2RAB9ANPC1
SCHEMBL3225333 0.81 CXCR2 (0.71) CXCR2KCNQ3KCNQ2RAB9ANPC1
SCHEMBL3227289 0.80 CXCR2 (0.68) CXCR2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3218651 0.79 HDAC1 (0.53) CXCR2RAB9ANPC1ALDH1A1MEN1
SCHEMBL3230684 0.78 CXCR2 (0.70) CXCR2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3221465 0.78 NPC1 (0.65) CXCR2RAB9ASMN1; SMN2NPC1ALDH1A1

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 1447/4885KCNQ3 1517/4885KCNQ2 1152/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT CXCR2 1447/4885KCNQ3 1517/4885KCNQ2 1152/4885

“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.