SCHEMBL2867284

SCHEMBL2867284

CC(C)N(C(=O)Nc1ccc(OC(F)(F)CC(F)(F)F)cc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
EPHX2 P34913 4/20 0.41
CSNK1D P48730 1/20 0.39
DYRK1A Q13627 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NTRK1 P04629 2/20 0.35
ATAD2 Q6PL18 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL2870252 0.88 EPHX2 (0.45) MAPTEPHX2CSNK1DDYRK1AKMT2A
SCHEMBL2863725 0.87 DYRK1A (0.36) MAPTCSNK1DDYRK1ANPC1RAB9A
SCHEMBL2855012 0.84 MAPT (0.47) MAPTEPHX2CSNK1DDYRK1ANPC1
SCHEMBL3403978 0.83 NTRK1 (0.34) MAPTEPHX2CSNK1DDYRK1AKMT2A
SCHEMBL2860184 0.82 MAPT (0.39) MAPTEPHX2CSNK1DDYRK1AKDR
SCHEMBL2868215 0.82 EPHX2 (0.42) MAPTEPHX2CSNK1DDYRK1AHDAC3
SCHEMBL2870138 0.80 MAPT (0.51) MAPTEPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL2865968 0.79 MAPT (0.47) MAPTEPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL2861474 0.78 DYRK1A (0.35) MAPTEPHX2CSNK1DDYRK1ANPC1
SCHEMBL2854987 0.78 MAPT (0.47) MAPTEPHX2CSNK1DDYRK1ANPC1

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 5 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-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US 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 MAPT 3030/4885EPHX2 1552/4885CSNK1D 1024/4885

“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.