SCHEMBL978586

SCHEMBL978586

CC(=O)Nc1ccccc1-c1cccc(NC(=O)c2cc3cccc(O)c3oc2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
GLA P06280 1/20 0.56
MAOB P27338 6/20 0.54
MAOA P21397 4/20 0.54
AKR1C3 P42330 9/20 0.50
MAPT P10636 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ADORA3 P0DMS8 1/20 0.48
CASP3 P42574 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CBR1 P16152 3/20 0.47
AR P10275 2/20 0.47
F12 P00748 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
SCHEMBL978085 0.89 ALDH1A1 (0.62) ALDH1A1GLAMAOBMAOAMAPT
SCHEMBL977971 0.85 ALDH1A1 (0.59) ALDH1A1GLAMAOBMAPTNPC1
SCHEMBL980797 0.82 AKR1C3 (0.50) ALDH1A1GLAMAOBMAOAAKR1C3
SCHEMBL979688 0.80 AKR1C3 (0.52) ALDH1A1GLAMAOBMAOAAKR1C3
SCHEMBL982716 0.79 CASP3 (0.51) ALDH1A1GLAMAOBMAOAAKR1C3
SCHEMBL978579 0.78 AKR1C3 (0.47) MAOBMAOAAKR1C3MAPTNPC1
SCHEMBL982797 0.78 AKR1C3 (0.59) MAOBMAOAAKR1C3NPC1RAB9A
SCHEMBL980671 0.78 MAPK1 (0.55) MAOBMAOAAKR1C3NPC1RAB9A
SCHEMBL978558 0.78 MAOB (0.56) MAOBMAOAMAPTNPC1RAB9A
SCHEMBL980673 0.78 RAB9A (0.56) MAOBMAPTNPC1RAB9AADORA3

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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 ALDH1A1 2806/4885GLA 467/4885MAOB 3235/4885

“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.