SCHEMBL4309079

SCHEMBL4309079

NC(=O)OC(Cn1ncnn1)c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
CYP3A4 P08684 1/20 0.37
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
SCN4A P35499 1/20 0.31
POLB P06746 1/20 0.31
OPRM1 P35372 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
GPR139 Q6DWJ6 1/20 0.30

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
SCHEMBL4313709 0.86 POLB (0.36) CES2CES1POLBIDO1TDO2
SCHEMBL4311346 0.83 CYP19A1 (0.37) POLB
SCHEMBL4306576 0.80 RPS6KB1 (0.33) MAPK14CES2CES1POLB
SCHEMBL4311461 0.79 POLB (0.37) CYP3A4POLBOPRM1IDO1
SCHEMBL13667434 0.79 POLB (0.37) CYP3A4POLBOPRM1IDO1
SCHEMBL4306831 0.79 RAB9A (0.39) CYP3A4CES2CES1POLB
SCHEMBL13667440 0.79 POLB (0.37) CYP3A4POLBOPRM1IDO1
SCHEMBL4313007 0.79 POLB (0.37) POLB
Cenobamate SCHEMBL4308624 0.79 POLB (0.46) POLB
Cenobamate SCHEMBL1682643 0.79 POLB (0.46) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879873-B1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2013-10-09 EP disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
EP-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
US-20060258718-A1 Neurotherapeutic azole compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-11-16 US disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 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-20060258718-A1 Neurotherapeutic azole compounds CHRNA10, CHRNA4, CHRNA3 MAPK14 1391/4885MAPK13 756/4885MAPK12 701/4885

“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.