SCHEMBL3404289

SCHEMBL3404289

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE10A Q9Y233 2/20 0.31
BRAF P15056 1/20 0.30
KDR P35968 1/20 0.30
DYRK1A Q13627 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
SCHEMBL3408163 0.89 MLYCD (0.30)
SCHEMBL3406630 0.88 RAB9A (0.32) MCHR1DYRK1A
SCHEMBL3402055 0.88 MLYCD (0.32)
SCHEMBL3404619 0.88 MCHR1 (0.36) MCHR1DYRK1A
SCHEMBL3403809 0.86 MLYCD (0.32)
SCHEMBL3407897 0.82 TMPRSS15 (0.31) MEN1KMT2A
SCHEMBL3403717 0.81 GPBAR1 (0.38) MCHR1MEN1KMT2ADYRK1A
SCHEMBL3408325 0.81 MEN1 (0.32) MEN1KMT2A
SCHEMBL3405068 0.80 CA2 (0.31)
SCHEMBL3403978 0.80 NTRK1 (0.34) MCHR1KMT2ADYRK1A

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 MCHR1 858/4885MEN1 669/4885KMT2A 1536/4885

“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.