SCHEMBL14082191

SCHEMBL14082191

O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(-c2ccccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.57
KCNMA1 Q12791 1/20 0.56
NPC1 O15118 2/20 0.51
MAPK1 P28482 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 2/20 0.51
GLA P06280 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
ABCB1 P08183 4/20 0.50
ABCC1 P33527 3/20 0.50
TRPV1 Q8NER1 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PHGDH O43175 1/20 0.46

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
SCHEMBL14082193 0.86 PHGDH (0.62) HCAR3NPC1RAB9AALDH1A1HTT
SCHEMBL14082360 0.85 NPC1 (0.51) HCAR3KCNMA1NPC1MAPK1RAB9A
SCHEMBL30739620 0.85 HCAR3 (0.72) HCAR3KCNMA1NPC1MAPK1RAB9A
SCHEMBL14082647 0.83 MAPT (0.50) HCAR3KCNMA1NPC1MAPK1RAB9A
SCHEMBL14083521 0.82 TRPV1 (0.53) HCAR3KCNMA1NPC1MAPK1RAB9A
SCHEMBL14082518 0.80 ABCB1 (0.62) HCAR3KCNMA1NPC1ALDH1A1ABCB1
SCHEMBL14082891 0.77 ABCB1 (0.61) HCAR3KCNMA1NPC1MAPK1RAB9A
SCHEMBL14082181 0.76 TRPV1 (0.76) NPC1RAB9ATRPV1
SCHEMBL6709928 0.75 KCNMA1 (0.54) HCAR3KCNMA1NPC1RAB9AALDH1A1
SCHEMBL20241807 0.75 HCAR3 (0.60) HCAR3KCNMA1NPC1MAPK1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 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 (1 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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 HCAR3 204/4885KCNMA1 97/4885NPC1 1061/4885

“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.