SCHEMBL979418

SCHEMBL979418

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 1.00
SMN1; SMN2 Q16637 6/20 0.73
RAB9A P51151 5/20 0.73
POLB P06746 4/20 0.73
MAPT P10636 4/20 0.73
NPC1 O15118 2/20 0.73
KMT2A Q03164 2/20 0.73
PTK2B Q14289 1/20 0.73
KDM4E B2RXH2 8/20 0.61
MAPK1 P28482 1/20 0.61
LMNA P02545 4/20 0.58
GFER P55789 1/20 0.58
ALDH1A1 P00352 7/20 0.57
SMO Q99835 1/20 0.57
HPGD P15428 4/20 0.55
TP53 P04637 2/20 0.55
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL32664390 1.00 CASP3 (1.00) CASP3SMN1; SMN2RAB9APOLBMAPT
SCHEMBL980108 0.92 CASP3 (0.86) CASP3SMN1; SMN2RAB9APOLBMAPT
SCHEMBL978553 0.89 CASP3 (0.81) CASP3SMN1; SMN2RAB9APOLBMAPT
SCHEMBL980586 0.89 CASP3 (0.80) CASP3SMN1; SMN2RAB9APOLBMAPT
SCHEMBL29350605 0.89 SMN1; SMN2 (0.80) CASP3SMN1; SMN2RAB9APOLBMAPT
SCHEMBL18216694 0.89 SMN1; SMN2 (0.80) CASP3SMN1; SMN2RAB9APOLBMAPT
SCHEMBL980173 0.87 SMN1; SMN2 (0.77) CASP3SMN1; SMN2RAB9APOLBMAPT
SCHEMBL982575 0.85 SMN1; SMN2 (1.00) CASP3SMN1; SMN2RAB9APOLBMAPT
SCHEMBL980106 0.84 RAB9A (0.78) CASP3SMN1; SMN2RAB9APOLBMAPT
SCHEMBL979433 0.79 SMN1; SMN2 (0.82) CASP3SMN1; SMN2RAB9APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9592229-B2 Potent anticancer activity via dual compound activation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-03-14 US disclosed
EP-2819661-B1 POTENT ANTICANCER ACTIVITY VIA DUAL COMPOUND ACTIVATION UNIV ILLINOIS (US) 2016-11-09 EP disclosed
US-20150099759-A1 POTENT ANTICANCER ACTIVITY VIA DUAL COMPOUND ACTIVATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-09 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 (2 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-20150099759-A1 POTENT ANTICANCER ACTIVITY VIA DUAL COMPOUND ACTIVATION BAD, MCL1, BAX CASP3 5/4885SMN1; SMN2 1287/4885RAB9A 1358/4885
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 CASP3 2/4885SMN1; SMN2 1555/4885RAB9A 3095/4885

“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.