SCHEMBL2797136

SCHEMBL2797136

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 7/20 0.49
HSD17B10 Q99714 7/20 0.48
HPGD P15428 6/20 0.48
CASP1 P29466 5/20 0.48
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CASP7 P55210 3/20 0.46
GAA P10253 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
LMNA P02545 3/20 0.42
ORAI1 Q96D31 1/20 0.39
KLK7 P49862 1/20 0.38
HTR2C P28335 1/20 0.38
MAPT P10636 5/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL2796011 0.86 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL3260254 0.84 ORAI1 (0.38) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL2795766 0.78 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL10621746 0.75 KDM4E (0.54) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL9300908 0.75 KDM4E (0.66) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL9301152 0.72 KDM4E (0.69) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL3258768 0.72 LMNA (0.35) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL13232459 0.72 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL9299699 0.71 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL10617852 0.70 KDM4E (0.54) KDM4EALDH1A1HSD17B10HPGDCASP1

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 1 patent. 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

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 1581/4885ALDH1A1 475/4885HSD17B10 736/4885

“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.