SCHEMBL980399

SCHEMBL980399

COc1cccc2cc(C(=O)Nc3cccc(-c4cncnc4)c3)c(=O)oc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.64
RAB9A P51151 4/20 0.60
HSD17B10 Q99714 1/20 0.60
MAPT P10636 4/20 0.60
TP53 P04637 2/20 0.60
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA3 P07451 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
NPC1 O15118 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.53

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
SCHEMBL980118 0.91 CASP3 (0.63) CASP3RAB9AHSD17B10MAPTTP53
SCHEMBL979979 0.90 CASP3 (0.61) CASP3RAB9AHSD17B10MAPTTP53
SCHEMBL983054 0.89 CASP3 (0.63) CASP3RAB9AHSD17B10MAPTTP53
SCHEMBL980492 0.89 CASP3 (0.65) CASP3RAB9AHSD17B10MAPTTP53
SCHEMBL978163 0.87 MAOB (0.52) CASP3RAB9ATP53NPC1MAOB
SCHEMBL980155 0.87 CASP3 (0.65) CASP3RAB9AHSD17B10MAPTTP53
SCHEMBL981013 0.86 CASP3 (0.61) CASP3RAB9AHSD17B10MAPTTP53
SCHEMBL982902 0.86 CASP3 (0.61) CASP3RAB9AHSD17B10MAPTTP53
SCHEMBL980237 0.85 CASP3 (0.63) CASP3RAB9AHSD17B10MAPTTP53
SCHEMBL978253 0.85 CASP3 (0.65) CASP3RAB9AHSD17B10MAPTTP53

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 CASP3 2/4885RAB9A 3095/4885HSD17B10 3214/4885

“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.