SCHEMBL4312868

SCHEMBL4312868

NC(=O)OC(Cc1nnn[nH]1)c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ALPL P05186 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
GRM2 Q14416 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
SCHEMBL28994495 0.77 CES2 (0.37) CES2CES1ALPLTDP1IDO1
SCHEMBL4958548 0.73 CES2 (0.35) CES2CES1ALPLTDP1IDO1
SCHEMBL4322783 0.70 LMNA (0.34) TDP1
SCHEMBL4306831 0.70 RAB9A (0.39) CES2CES1DPP4
SCHEMBL4309079 0.67 MAPK14 (0.37) CES2CES1IDO1TDO2
SCHEMBL9175291 0.67 CES2 (0.45) CES2CES1IDO1TDO2
SCHEMBL16067623 0.64 CES2 (0.42) CES2CES1IDO1TDO2
SCHEMBL28013722 0.63 IDO1 (0.64) CES2CES1IDO1TDO2
SCHEMBL9160661 0.61 CES2 (0.45) CES2CES1IDO1TDO2DPP9
SCHEMBL11079923 0.60 CES2 (0.47) CES2CES1IDO1TDO2DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-20060258718-A1 Neurotherapeutic azole compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-11-16 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-20060258718-A1 Neurotherapeutic azole compounds CHRNA10, CHRNA4, CHRNA3 CES2 112/4885CES1 347/4885ALPL 2257/4885

“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.