SCHEMBL978163

SCHEMBL978163

O=C(Nc1cccc(-c2cncnc2)c1)c1cc2cccc(O)c2oc1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.52
MAOA P21397 4/20 0.52
AKR1C3 P42330 9/20 0.52
CBR1 P16152 3/20 0.50
AR P10275 2/20 0.50
CASP3 P42574 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
F12 P00748 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 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
SCHEMBL980408 0.90 KMT2A (0.52) MAOBMAOAAKR1C3CBR1AR
SCHEMBL980671 0.88 MAPK1 (0.55) MAOBMAOAAKR1C3CBR1AR
SCHEMBL980399 0.87 CASP3 (0.64) MAOBCASP3NPC1RAB9ATP53
SCHEMBL979386 0.85 AKR1C3 (0.51) MAOBMAOAAKR1C3CBR1AR
SCHEMBL981334 0.85 MAOB (0.53) MAOBMAOAAKR1C3CASP3NPC1
SCHEMBL978668 0.85 CASP3 (0.53) MAOBMAOAAKR1C3CBR1AR
SCHEMBL980848 0.84 CASP3 (0.50) MAOBMAOAAKR1C3CBR1AR
SCHEMBL982797 0.83 AKR1C3 (0.59) MAOBMAOAAKR1C3CBR1AR
SCHEMBL981025 0.83 CASP3 (0.51) MAOBMAOAAKR1C3CBR1AR
SCHEMBL978895 0.82 MAOB (0.51) MAOBMAOAAKR1C3CBR1AR

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 2101/4885AKR1C3 3154/4885

“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.