SCHEMBL980684

SCHEMBL980684

Cn1ccc2cc(-c3cccc(NC(=O)c4cc5cccc(O)c5oc4=O)c3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
MAOA P21397 3/20 0.49
CASP3 P42574 1/20 0.48
AKR1C3 P42330 9/20 0.48
CBR1 P16152 4/20 0.46
AR P10275 3/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
PTK2B Q14289 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
F12 P00748 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL978247 0.89 CASP3 (0.62) MAOBCASP3NPC1RAB9APOLB
SCHEMBL982779 0.80 MAOB (0.61) MAOBMAOACASP3NPC1RAB9A
SCHEMBL981025 0.80 CASP3 (0.51) MAOBMAOACASP3AKR1C3CBR1
SCHEMBL977891 0.79 AKR1C3 (0.54) MAOBMAOACASP3AKR1C3CBR1
SCHEMBL980671 0.79 MAPK1 (0.55) MAOBMAOACASP3AKR1C3CBR1
SCHEMBL982797 0.79 AKR1C3 (0.59) MAOBMAOAAKR1C3CBR1AR
SCHEMBL979803 0.78 MAOB (0.51) MAOBMAOACASP3AKR1C3CBR1
SCHEMBL979386 0.78 AKR1C3 (0.51) MAOBMAOACASP3AKR1C3CBR1
SCHEMBL978163 0.78 MAOB (0.52) MAOBMAOACASP3AKR1C3CBR1
SCHEMBL980649 0.77 AKR1C3 (0.49) MAOBMAOACASP3AKR1C3CBR1

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 MAOB 3235/4885MAOA 2101/4885CASP3 2/4885

“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.