SCHEMBL980044

SCHEMBL980044

COc1ccc(-c2cccc(N)c2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.51
MAOA P21397 1/20 0.48
KIT P10721 2/20 0.46
NTRK1 P04629 1/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
MAPT P10636 4/20 0.44
FYN P06241 1/20 0.43
BACE1 P56817 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 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
SCHEMBL980277 0.85 NTRK1 (0.58) MAOAKITNTRK1ALDH1A1CYP3A4
SCHEMBL3783522 0.84 ALDH1A1 (0.52) MAP4K4MAOAKITNTRK1ALDH1A1
SCHEMBL12326161 0.82 PDGFRB (0.58) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL978024 0.81 MAP4K4 (0.51) MAP4K4MAOAALDH1A1CYP3A4HSD17B10
SCHEMBL29644376 0.81 KDM4E (0.54) ALDH1A1TSHRHSD17B10TDP1PDGFRB
SCHEMBL8264357 0.81 KDM4E (0.54) ALDH1A1TSHRHSD17B10TDP1PDGFRB
SCHEMBL21116012 0.81 ADORA2A (0.50) MAOAKITNTRK1ALDH1A1CYP3A4
SCHEMBL3784708 0.80 ALDH1A1 (0.74) MAP4K4MAOAKITNTRK1ALDH1A1
SCHEMBL22171376 0.79 FYN (0.48) MAP4K4KITNTRK1ALDH1A1CYP3A4
SCHEMBL245409 0.78 ALDH1A1 (0.57) ALDH1A1CYP3A4TSHRMAPTKDM4E

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 2101/4885KIT 1579/4885

“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.