SCHEMBL13856428

SCHEMBL13856428

COc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 1.00
NR4A1 P22736 1/20 1.00
KDM4E B2RXH2 11/20 0.70
ALDH1A1 P00352 10/20 0.70
HPGD P15428 10/20 0.70
CASP1 P29466 9/20 0.70
CASP7 P55210 9/20 0.70
HSD17B10 Q99714 8/20 0.70
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
POLB P06746 3/20 0.70
ESR1 P03372 2/20 0.70
GAA P10253 2/20 0.70
ESR2 Q92731 1/20 0.70
TDP1 Q9NUW8 1/20 0.65
NPSR1 Q6W5P4 4/20 0.63
ALOX15 P16050 3/20 0.63
BLM P54132 1/20 0.63
MAPK1 P28482 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63

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
SCHEMBL13401733 0.79 KDM4E (1.00) MAPTNR4A1KDM4EALDH1A1HPGD
SCHEMBL13912173 0.77 MAPK1 (1.00) MAPTNR4A1KDM4EALDH1A1HPGD
SCHEMBL4216951 0.76 ALDH1A1 (0.71) MAPTNR4A1KDM4EALDH1A1HPGD
SCHEMBL4343184 0.74 THRB (0.65) MAPTNR4A1KDM4EALDH1A1HPGD
SCHEMBL4204615 0.74 HPGD (0.84) MAPTKDM4EALDH1A1HPGDCASP1
SCHEMBL4216963 0.73 HPGD (1.00) MAPTNR4A1KDM4EALDH1A1HPGD
SCHEMBL4206860 0.73 HPGD (1.00) MAPTNR4A1KDM4EALDH1A1HPGD
SCHEMBL3714389 0.72 KDM4E (0.72) MAPTNR4A1KDM4EALDH1A1HPGD
SCHEMBL4204320 0.72 HPGD (0.84) MAPTNR4A1KDM4EALDH1A1HPGD
SCHEMBL14039099 0.72 KDM4E (0.69) MAPTNR4A1KDM4EALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US 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-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD MAPT 3866/4885NR4A1 4082/4885KDM4E 3373/4885

“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.