SCHEMBL3406404

SCHEMBL3406404

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.34
KMT2A Q03164 5/20 0.33
MCHR1 Q99705 4/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
EPHX2 P34913 2/20 0.32
DYRK1A Q13627 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
GAA P10253 1/20 0.31
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3403386 0.91 CSNK1D (0.33) CSNK1DKMT2AMCHR1MEN1MAPT
SCHEMBL3404619 0.89 MCHR1 (0.36) CSNK1DMCHR1MAPTEPHX2DYRK1A
SCHEMBL3403978 0.87 NTRK1 (0.34) CSNK1DKMT2AMCHR1MAPTEPHX2
SCHEMBL3405122 0.87 LTA4H (0.33) CSNK1DKMT2AMCHR1MEN1MAPT
SCHEMBL3408163 0.86 MLYCD (0.30)
SCHEMBL3408325 0.86 MEN1 (0.32) KMT2AMEN1
SCHEMBL3401950 0.84 MCHR1 (0.41) CSNK1DKMT2AMCHR1MEN1EPHX2
SCHEMBL3409502 0.81 MLYCD (0.35) KDR
SCHEMBL3404289 0.81 MCHR1 (0.33) KMT2AMCHR1MEN1DYRK1AKDR
SCHEMBL3405732 0.80 KMT2A (0.39) KMT2AMEN1MAPTEPHX2SMN1; SMN2

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 1024/4885KMT2A 1536/4885MCHR1 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.