SCHEMBL3406523

SCHEMBL3406523

CC(C)N(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.39
MLYCD O95822 2/20 0.36
MCHR1 Q99705 2/20 0.36
HDAC4 P56524 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
GRM1 Q13255 1/20 0.32
DYRK1A Q13627 1/20 0.32
GSK3B P49841 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL3401870 0.86 LMNA (0.34) GRM1
SCHEMBL3403704 0.86 MLYCD (0.34) MLYCDGRM1
SCHEMBL3403717 0.85 GPBAR1 (0.38) MLYCDMCHR1CES2CES1DYRK1A
SCHEMBL3408861 0.84 MAPT (0.37) MCHR1
SCHEMBL3411100 0.84 MCHR1 (0.41) MCHR1DYRK1A
SCHEMBL3406303 0.84 MLYCD (0.39) MLYCDMCHR1S1PR1
SCHEMBL3403912 0.83 MLYCD (0.40) MLYCDMCHR1S1PR1
SCHEMBL3405070 0.83 MAPT (0.36) GRM1DYRK1AGSK3B
SCHEMBL3406734 0.83 CA2 (0.35)
SCHEMBL3402055 0.82 MLYCD (0.32) HDAC8MLYCD

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
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US claimed

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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 HDAC8 1121/4885MLYCD 4/4885MCHR1 858/4885

“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.