SCHEMBL3407910

SCHEMBL3407910

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.41
MCHR1 Q99705 7/20 0.40
AHR P35869 1/20 0.40
CSNK1D P48730 1/20 0.39
EPHX2 P34913 1/20 0.39
DYRK1A Q13627 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
MLYCD O95822 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
USP30 Q70CQ3 2/20 0.36

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
SCHEMBL3401950 0.86 MCHR1 (0.41) MTORMCHR1AHRCSNK1DEPHX2
SCHEMBL3411100 0.86 MCHR1 (0.41) MTORMCHR1AHRCSNK1DEPHX2
SCHEMBL3403717 0.85 GPBAR1 (0.38) MCHR1DYRK1ATRPV4MLYCDMEN1
SCHEMBL3410435 0.84 NPC1 (0.42) EPHX2MEN1NPC1POLBRAB9A
SCHEMBL3407702 0.84 MCHR1 (0.39) MTORMCHR1AHRCSNK1DEPHX2
SCHEMBL3408068 0.83 LMNA (0.37) DYRK1AMEN1NPC1POLBRAB9A
SCHEMBL3404619 0.82 MCHR1 (0.36) MCHR1CSNK1DEPHX2DYRK1ANPC1
SCHEMBL3403261 0.82 CA1 (0.50) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL3405096 0.80 LIPE (0.41) CSNK1DMEN1NPC1RAB9AKMT2A
SCHEMBL3407264 0.80 KMT2A (0.39) MEN1NPC1POLBRAB9AKMT2A

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 MTOR 1015/4885MCHR1 858/4885AHR 2019/4885

“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.