SCHEMBL3403386

SCHEMBL3403386

CC(C)CN(C(=O)Nc1ccc(OC(F)(F)CC(F)(F)F)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.33
EPHX2 P34913 1/20 0.33
MCHR1 Q99705 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NTRK1 P04629 5/20 0.32
HTR2C P28335 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DYRK1A Q13627 1/20 0.31
MAPT P10636 1/20 0.30
GAA P10253 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
SCHEMBL3406404 0.91 CSNK1D (0.34) CSNK1DEPHX2MCHR1MEN1KMT2A
SCHEMBL3403978 0.88 NTRK1 (0.34) CSNK1DEPHX2MCHR1KMT2ANTRK1
SCHEMBL3403809 0.87 MLYCD (0.32)
SCHEMBL3406188 0.87
SCHEMBL3404619 0.87 MCHR1 (0.36) CSNK1DEPHX2MCHR1HTR2CDYRK1A
SCHEMBL3407702 0.85 MCHR1 (0.39) CSNK1DEPHX2MCHR1MEN1KMT2A
SCHEMBL3405122 0.84 LTA4H (0.33) CSNK1DEPHX2MCHR1MEN1KMT2A
SCHEMBL2870252 0.84 EPHX2 (0.45) CSNK1DEPHX2MEN1KMT2ADYRK1A
SCHEMBL3404213 0.81 MAPT (0.35) EPHX2MEN1KMT2AALDH1A1MAPT
SCHEMBL3403300 0.81 MAPT (0.35) EPHX2MAPT

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 4 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
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO 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 CSNK1D 1024/4885EPHX2 1552/4885MCHR1 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.