SCHEMBL982016

SCHEMBL982016

Nc1cccc(-c2ccc(O)nc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.68
MEN1 O00255 1/20 0.55
PSIP1 O75475 1/20 0.55
AXL P30530 1/20 0.55
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
MAOA P21397 1/20 0.50
MCL1 Q07820 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
KIT P10721 1/20 0.45
PDPK1 O15530 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP17A1 P05093 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CA12 O43570 1/20 0.43

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
SCHEMBL16512756 0.79 ESR2 (0.60) MAP4K4HSD17B1HSD17B2CYP17A1CYP3A4
SCHEMBL19461191 0.78 ALDH1A1 (0.56) MAP4K4MEN1MKNK1MKNK2NPC1
SCHEMBL4700834 0.78 MAP4K4 (0.68) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL2081751 0.78 MAP4K4 (0.68) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL11622212 0.78 MAP4K4 (0.68) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL30098552 0.78 MAP4K4 (0.68) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL30619390 0.77 MEN1 (0.44) MAP4K4MEN1MKNK1MKNK2HSD17B1
SCHEMBL3098901 0.77 MEN1 (0.44) MAP4K4MEN1MKNK1MKNK2HSD17B1
SCHEMBL27804589 0.76 MAP4K4 (0.66) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL2643156 0.76 MAP4K4 (1.00) MAP4K4MEN1PSIP1AXLMKNK1

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
CN-101965189-A Activators of pro-caspase 3, 6 and 7 UNIV CALIFORNIA 2011-02-02 CN 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
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO 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 MAP4K4 2317/4885MEN1 1916/4885PSIP1 1881/4885

“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.