SCHEMBL978024

SCHEMBL978024

CCOc1ccc(-c2cccc(N)c2)cc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.51
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.46
MAOA P21397 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
CYP17A1 P05093 1/20 0.40

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
SCHEMBL3785868 0.85 MAPT (0.56) MAP4K4KDM4EMAPTALDH1A1CYP3A4
SCHEMBL1911874 0.83 MRGPRX4 (0.54) KDM4EMAPTALDH1A1MEN1POLB
SCHEMBL3783982 0.82 ALDH1A1 (0.77) MAP4K4KDM4EMAPTALDH1A1CYP3A4
SCHEMBL980044 0.81 MAP4K4 (0.51) MAP4K4KDM4EMAPTALDH1A1CYP3A4
SCHEMBL10056869 0.81 KDM4E (0.61) KDM4EMAPTALDH1A1CYP3A4TP53
SCHEMBL3789274 0.79 KDM4E (0.51) MAP4K4KDM4EMAPTALDH1A1CYP3A4
SCHEMBL978718 0.78 TP53 (0.65) MAP4K4KDM4EMAPTALDH1A1CYP3A4
Orthotolidine SCHEMBL9650002 0.77 CYP3A4 (0.55) MAP4K4KDM4EMAPTALDH1A1CYP3A4
SCHEMBL3786792 0.77 CYP3A4 (0.68) MAP4K4KDM4EMAPTALDH1A1CYP3A4
SCHEMBL30093058 0.76 CYP3A4 (0.79) MAP4K4KDM4EMAPTALDH1A1CYP3A4

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 2317/4885KDM4E 1601/4885MAPT 3013/4885

“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.