SCHEMBL980447

SCHEMBL980447

COc1ncccc1-c1cccc(N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.63
DHFR P00374 1/20 0.54
ALOX5AP P20292 1/20 0.52
FEN1 P39748 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.50
PTGES2 Q9H7Z7 1/20 0.49
FYN P06241 2/20 0.47
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.45
PSIP1 O75475 1/20 0.45
AXL P30530 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
CTSD P07339 1/20 0.43
BACE1 P56817 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.43
BTK Q06187 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42

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
SCHEMBL979368 0.84 MAP4K4 (0.59) MAP4K4DHFRALOX5APFEN1LOXL2
SCHEMBL13036069 0.82 LOXL2 (0.48) DHFRALOX5APFEN1LOXL2PTGES2
SCHEMBL558935 0.81 ALOX5AP (0.55) DHFRALOX5APFEN1LOXL2PTGES2
SCHEMBL1509530 0.81 ALOX5AP (0.55) DHFRALOX5APFEN1LOXL2PTGES2
SCHEMBL29501242 0.81 LOXL2 (0.47) DHFRALOX5APFEN1LOXL2PTGES2
SCHEMBL15676581 0.81 LOXL2 (0.47) DHFRALOX5APFEN1LOXL2PTGES2
SCHEMBL4705 0.81 LOXL2 (0.47) MAP4K4DHFRALOX5APFEN1LOXL2
SCHEMBL15674555 0.81 ALOX5AP (0.52) MAP4K4DHFRALOX5APFEN1LOXL2
SCHEMBL30884615 0.80 MAP4K4 (0.71) MAP4K4FEN1FYNNPC1MEN1
SCHEMBL13422264 0.79 DHODH (0.53) ALOX5APFEN1LOXL2PTGES2NPC1

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-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
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 2317/4885DHFR 4041/4885ALOX5AP 1578/4885

“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.