SCHEMBL980586

SCHEMBL980586

COc1cccc2cc(C(=O)Nc3cccc(-c4cn5ccccc5n4)c3)oc12

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.80
KDM4E B2RXH2 9/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
LMNA P02545 5/20 0.61
POLB P06746 5/20 0.61
RAB9A P51151 4/20 0.61
GFER P55789 1/20 0.61
ALDH1A1 P00352 9/20 0.60
HPGD P15428 5/20 0.60
MAPT P10636 5/20 0.60
MAPK1 P28482 1/20 0.59
SMO Q99835 1/20 0.59
KMT2A Q03164 3/20 0.59
NPC1 O15118 2/20 0.59
PTK2B Q14289 1/20 0.59
TP53 P04637 4/20 0.57
MEN1 O00255 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL979418 0.89 CASP3 (1.00) CASP3KDM4ESMN1; SMN2LMNAPOLB
SCHEMBL32664390 0.89 CASP3 (1.00) CASP3KDM4ESMN1; SMN2LMNAPOLB
SCHEMBL24715798 0.85 CASP3 (0.61) CASP3KDM4ESMN1; SMN2LMNAPOLB
SCHEMBL980108 0.81 CASP3 (0.86) CASP3KDM4ESMN1; SMN2POLBRAB9A
SCHEMBL1494756 0.78 RAB9A (0.79) CASP3KDM4ESMN1; SMN2LMNAPOLB
SCHEMBL978553 0.78 CASP3 (0.81) CASP3KDM4ESMN1; SMN2LMNAPOLB
SCHEMBL6833294 0.78 RAB9A (0.66) KDM4ESMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL4726858 0.78 SMN1; SMN2 (0.78) CASP3KDM4ESMN1; SMN2LMNAPOLB
SCHEMBL13768972 0.78 CASP3 (0.51) CASP3KDM4ELMNAPOLBRAB9A
SCHEMBL4781504 0.78 KDM4E (0.77) CASP3KDM4ESMN1; SMN2LMNAPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
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 2/4885KDM4E 1601/4885SMN1; SMN2 1555/4885

“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.