SCHEMBL20100076

SCHEMBL20100076

CC(C)c1nc2cc3c(cc2[nH]1)OC(C)(F)O3

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP1A2 P05177 1/20 0.35
CSNK1E P49674 6/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
CSNK1G3 Q9Y6M4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL20100103 0.89 KDM4E (0.51) KDM4ELMNAHSD17B10CSNK1EATP4A
SCHEMBL13542749 0.76 HSD17B10 (0.54) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL3427346 0.76 LMNA (0.54) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL12938095 0.74 KDM4E (0.69) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL4107335 0.72 HSD17B10 (0.61) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL22563409 0.70 HSD17B10 (0.54) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL19911168 0.70 HSD17B10 (0.62) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL12724845 0.70 KDM4E (0.62) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL17300603 0.68 HSD17B10 (0.61) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL8223435 0.68 LMNA (0.61) KDM4ELMNAHSD17B10CYP1A2

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-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-03 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-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CYCS KDM4E 1838/4885LMNA 1472/4885HSD17B10 1027/4885

“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.