SCHEMBL4160507

SCHEMBL4160507

COc1cccc(COc2c(Br)cc(C=O)cc2Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.52
MAOA P21397 5/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
XBP1 P17861 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
APP P05067 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
SCHEMBL2513277 0.92 ALDH1A1 (0.55) MAOBMAOANPC1RAB9ATDP1
SCHEMBL2514148 0.91 APP (0.49) MAOBMAOANPC1RAB9ATDP1
SCHEMBL1414014 0.89 ALDH1A1 (0.53) MAOBMAOANPC1RAB9ATDP1
SCHEMBL2511985 0.87 MAOB (0.44) MAOBMAOANPC1RAB9ATDP1
SCHEMBL2515097 0.87 APP (0.46) MAOBMAOANPC1RAB9ATDP1
SCHEMBL1414062 0.85 HTR1A (0.55) MAOBMAOANPC1RAB9ATDP1
SCHEMBL3629871 0.85 NPC1 (0.59) MAOBMAOANPC1RAB9ATDP1
SCHEMBL6274375 0.84 MAOB (0.47) MAOBMAOANPC1RAB9ATDP1
SCHEMBL3955227 0.81 THRA (0.57) MAOBMAOARAB9ALMNAMAPT
SCHEMBL28586185 0.80 NPC1 (0.78) MAOBMAOANPC1RAB9ATDP1

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-20090215773-A1 DIHYDROPYRIDINE DERIVATIVES N.V.ORGANON (NL) 2009-08-27 US disclosed
EP-1879866-A1 DIHYDROPYRIDINE DERIVATIVES N.V. Organon (NL) 2008-01-23 EP disclosed
WO-2006117023-A1 DIHYDROPYRIDINE DERIVATIVES N.V. ORGANON (NL) 2006-11-09 WO 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-20090215773-A1 DIHYDROPYRIDINE DERIVATIVES CATSPER1, ODC1, ADH1C MAOB 1852/4885MAOA 2756/4885NPC1 1278/4885

“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.