SCHEMBL7528525

SCHEMBL7528525

O=c1c(Br)c(Br)cnn1-c1cccc(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
ALDH1A1 P00352 6/20 0.54
MAPT P10636 5/20 0.54
HTT P42858 5/20 0.54
NPSR1 Q6W5P4 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
LMNA P02545 4/20 0.54
RXFP1 Q9HBX9 2/20 0.54
PAX8 Q06710 2/20 0.54
XBP1 P17861 3/20 0.48
S1PR4 O95977 2/20 0.46
HPGD P15428 2/20 0.46
S1PR1 P21453 2/20 0.46
MAPK14 Q16539 8/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
HCAR1 Q9BXC0 1/20 0.36
PPARG P37231 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL4745202 0.88 NPC1 (0.61) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL1750846 0.76 ALDH1A1 (0.50) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL4740875 0.73 RAB9A (0.67) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL4187625 0.71 SMN1; SMN2 (0.71) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL4191812 0.71 RAB9A (0.60) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL4743412 0.70 RAB9A (1.00) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL6370511 0.70 NPC1 (0.58) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL1749910 0.68 RAB9A (0.60) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL4191587 0.68 NPC1 (0.69) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL4184776 0.68 ALDH1A1 (0.56) NPC1RAB9AALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 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-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 NPC1 4230/4885RAB9A 4413/4885ALDH1A1 286/4885

“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.