SCHEMBL3229652

SCHEMBL3229652

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
CXCR2 P25025 1/20 0.58
P2RX1 P51575 1/20 0.57
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NAMPT P43490 1/20 0.50
BRAF P15056 4/20 0.48

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
SCHEMBL3219815 0.85 CXCR2 (0.67) NPC1RAB9ACXCR2HTTSMN1; SMN2
SCHEMBL3221465 0.84 NPC1 (0.65) NPC1RAB9ACXCR2ALDH1A1HTT
SCHEMBL3227232 0.82 MAPT (0.63) NPC1RAB9ACXCR2P2RX1GAA
SCHEMBL3230547 0.81 RECQL (0.62) NPC1RAB9ACXCR2MAPTHTT
SCHEMBL3225340 0.80 CXCR2 (0.71) NPC1RAB9ACXCR2ALDH1A1HPGD
SCHEMBL3221810 0.80 ADORA3 (0.63) NPC1RAB9ACXCR2P2RX1ALDH1A1
SCHEMBL3225076 0.80 CXCR2 (0.56) NPC1RAB9ACXCR2MAPTHTT
SCHEMBL3220123 0.79 CXCR2 (0.55) NPC1RAB9ACXCR2MAPTLMNA
SCHEMBL5498009 0.79 RAB9A (0.71) NPC1RAB9AP2RX1ALDH1A1GAA
SCHEMBL3220462 0.78 ABL1 (0.55) NPC1RAB9ACXCR2ALDH1A1MAPT

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 NPC1 394/4885RAB9A 1926/4885CXCR2 1447/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT NPC1 394/4885RAB9A 1926/4885CXCR2 1447/4885

“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.