SCHEMBL2796002

SCHEMBL2796002

COC(=O)c1cnn2c(O)c(-n3nc(C)cc3C)c(O)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 10/20 0.45
HSD17B10 Q99714 6/20 0.45
HPGD P15428 5/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 3/20 0.40
CASP1 P29466 2/20 0.40
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SPR P35270 1/20 0.39
PDE2A O00408 1/20 0.39
POLB P06746 3/20 0.39
GBA1 P04062 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL4017611 0.83 KDM4E (0.35) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL2795766 0.82 KDM4E (0.46) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL13232457 0.81 KDM4E (0.53) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL3258125 0.81 ALDH1A1 (0.38) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL2792537 0.77 KDM4E (0.42) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL4515102 0.71 ALDH1A1 (0.49) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL9300611 0.70 KDM4E (0.55) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL4509989 0.69 KDM4E (0.44) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL13232454 0.69 ALDH1A1 (0.44) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL25117949 0.69 KDM4E (0.54) KDM4EMAPTALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100167931-A1 HETEROCYCLICALLY SUBSTITUTED HETEROCYCLYLCARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
US-20100167931-A1 HETEROCYCLICALLY SUBSTITUTED HETEROCYCLYLCARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
US-20100167931-A1 HETEROCYCLICALLY SUBSTITUTED HETEROCYCLYLCARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
EP-2014661-A1 Hererocyclically substituted heterocyclic carboxylic acid derivates Bayer CropScience AG (DE) 2009-01-14 EP disclosed
WO-2008151735-A2 HETEROCYCLICALLY SUBSTITUTED HETEROCYCLYL CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-12-18 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-20100167931-A1 HETEROCYCLICALLY SUBSTITUTED HETEROCYCLYLCARBOXYLIC ACID DERIVATIVES HPD, HAAO, HCAR2 KDM4E 1581/4885MAPT 3950/4885ALDH1A1 475/4885

“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.