SCHEMBL20100103

SCHEMBL20100103

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CSNK1E P49674 7/20 0.42
ATP4A P20648 5/20 0.41
ATP4B P51164 5/20 0.41
CSNK1G3 Q9Y6M4 1/20 0.41
ATP1A1 P05023 1/20 0.39
ATP1B1 P05026 1/20 0.39
ATP1A3 P13637 1/20 0.39
ATP1B2 P14415 1/20 0.39
ATP1A2 P50993 1/20 0.39
ATP1B3 P54709 1/20 0.39
FXYD2 P54710 1/20 0.39
ATP1A4 Q13733 1/20 0.39
NPY5R Q15761 1/20 0.39
RET P07949 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
SCHEMBL20100076 0.89 KDM4E (0.50) KDM4ELMNAHSD17B10CSNK1EATP4A
SCHEMBL8265318 0.79 MAPT (0.46) KDM4EHSD17B10CSNK1EATP4AATP4B
SCHEMBL13542749 0.78 HSD17B10 (0.54) KDM4ELMNAHSD17B10
SCHEMBL3427346 0.78 LMNA (0.54) KDM4ELMNAHSD17B10NPY5R
SCHEMBL8306086 0.76 CSNK1E (0.42) CSNK1EATP4AATP4BCSNK1G3ATP1A1
SCHEMBL15553070 0.76 FABP6 (0.49) CSNK1EATP4AATP4BCSNK1G3ATP1A1
SCHEMBL12938095 0.75 KDM4E (0.69) KDM4ELMNAHSD17B10
SCHEMBL12111156 0.75 GAA (0.53) CSNK1EATP4AATP4BCSNK1G3ATP1A1
SCHEMBL12109093 0.75 CSNK1E (0.42) KDM4ECSNK1EATP4AATP4BCSNK1G3
Bromide SCHEMBL16767404 0.74 FABP6 (0.47) CSNK1EATP4AATP4BCSNK1G3ATP1A1

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-11072598-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2021-07-27 US disclosed
EP-3280716-B1 IMIDAZO[1,2-A]PYRIDIN-2-YL DERIVATIVES AS PESTICIDES AND INTERMEDIATES THEREOF BAYER CROPSCIENCE AG (DE) 2020-02-12 EP disclosed
US-10188108-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-29 US disclosed
US-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-03 US disclosed
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 (3 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-10188108-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, CBR3, CYCS KDM4E 1838/4885LMNA 1472/4885HSD17B10 1027/4885
US-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CYCS KDM4E 1838/4885LMNA 1472/4885HSD17B10 1027/4885
US-11072598-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 KDM4E 4554/4885LMNA 3475/4885HSD17B10 3787/4885

“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.