SCHEMBL980630

SCHEMBL980630

Nc1cccc(-c2ccc3nonc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 7/20 0.50
MAOA P21397 1/20 0.50
MEN1 O00255 1/20 0.46
PSIP1 O75475 1/20 0.46
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
PDPK1 O15530 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
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MECP2 P51608 1/20 0.43
TDO2 P48775 1/20 0.43
KDM4E B2RXH2 2/20 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
SCHEMBL3078778 0.82 ENPP2 (0.58) TDO2KDM4EALDH1A1PKMHSD17B10
SCHEMBL4022329 0.78 ENPP2 (0.62) MAP4K4CYP17A1CYP3A4CYP19A1CYP11B1
SCHEMBL3191645 0.78 ENPP2 (0.54) MAOAMEN1KDM4ENPC1ALDH1A1
SCHEMBL21788578 0.76 MAP4K4 (0.56) MAP4K4MAOAMEN1PSIP1AXL
SCHEMBL31131353 0.75 MAOA (0.84) MAP4K4MAOAMEN1PSIP1AXL
SCHEMBL29561461 0.75 MAOA (0.84) MAP4K4MAOAMEN1PSIP1AXL
SCHEMBL19446666 0.75 MAOA (0.84) MAP4K4MAOAMEN1PSIP1AXL
SCHEMBL29394565 0.75 MAOA (0.84) MAP4K4MAOAMEN1PSIP1AXL
SCHEMBL311194 0.75 MAOA (0.84) MAP4K4MAOAMEN1PSIP1AXL
SCHEMBL29403794 0.74 MAOA (0.83) MAP4K4MAOAMEN1PSIP1AXL

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 2317/4885MAOA 2101/4885MEN1 1916/4885

“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.