SCHEMBL3227232

SCHEMBL3227232

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
CXCR2 P25025 1/20 0.59
RXFP1 Q9HBX9 3/20 0.57
KCNK3 O14649 1/20 0.55
LMNA P02545 2/20 0.54
P2RX1 P51575 2/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
TSHR P16473 1/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
HTT P42858 2/20 0.53
PTGS1 P23219 2/20 0.53
SLC2A1 P11166 1/20 0.53
P2RX4 Q99571 1/20 0.53
P2RX7 Q99572 1/20 0.53
TMPRSS4 Q9NRS4 1/20 0.53
POLB P06746 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53

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
SCHEMBL3230346 0.88 CXCR2 (0.63) MAPTCXCR2P2RX1MEN1KMT2A
SCHEMBL3218512 0.84 CXCR2 (0.72) MAPTCXCR2RAB9ANPC1PTGS1
SCHEMBL3225340 0.83 CXCR2 (0.71) CXCR2KCNK3MEN1KMT2ATSHR
SCHEMBL3221810 0.83 ADORA3 (0.63) MAPTCXCR2KCNK3LMNAP2RX1
SCHEMBL24141032 0.82 MAPT (0.84) MAPTRXFP1KCNK3LMNAP2RX1
SCHEMBL3229652 0.82 NPC1 (0.59) MAPTCXCR2LMNAP2RX1TSHR
SCHEMBL3220123 0.82 CXCR2 (0.55) MAPTCXCR2RXFP1LMNAMEN1
SCHEMBL11791073 0.81 RXFP1 (0.79) MAPTRXFP1KCNK3LMNAP2RX1
SCHEMBL23447711 0.81 MAPT (0.82) MAPTRXFP1KCNK3LMNAP2RX1
SCHEMBL3223328 0.81 CXCR2 (0.59) MAPTCXCR2LMNAP2RX1MEN1

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 MAPT 2060/4885CXCR2 1447/4885RXFP1 3596/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT MAPT 2060/4885CXCR2 1447/4885RXFP1 3596/4885

“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.