SCHEMBL980732

SCHEMBL980732

COc1cccc2cc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c(=O)oc12

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
TP53 P04637 1/20 0.60
MAPT P10636 1/20 0.60
HPSE Q9Y251 8/20 0.59
KMT2A Q03164 2/20 0.57
DDX3X O00571 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CASP3 P42574 1/20 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
SCHEMBL980449 0.92 KMT2A (0.69) RAB9ANPC1TP53MAPTKMT2A
SCHEMBL981812 0.81 MAPT (0.78) RAB9ANPC1TP53MAPTKMT2A
SCHEMBL2739970 0.78 HPSE (0.65) RAB9ANPC1MAPTHPSEKMT2A
SCHEMBL6259761 0.78 NPC1 (0.71) RAB9ANPC1MAPTHPSEKMT2A
SCHEMBL12388199 0.77 NPC1 (1.00) RAB9ANPC1TP53MAPTKMT2A
SCHEMBL980581 0.76 CASP3 (0.59) RAB9ANPC1TP53MAPTKMT2A
SCHEMBL2740090 0.76 HPSE (0.73) RAB9ANPC1TP53MAPTHPSE
SCHEMBL2246214 0.76 HPSE (0.83) RAB9ANPC1TP53MAPTHPSE
SCHEMBL980108 0.76 CASP3 (0.86) RAB9ANPC1TP53MAPTKMT2A
SCHEMBL25674724 0.75 KMT2A (0.63) RAB9ANPC1MAPTHPSEKMT2A

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 3 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-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 RAB9A 3095/4885NPC1 2565/4885TP53 39/4885

“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.