SCHEMBL2855012

SCHEMBL2855012

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
CSNK1D P48730 2/20 0.43
DYRK1A Q13627 1/20 0.43
MCHR1 Q99705 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ACP1 P24666 1/20 0.40
EPHX2 P34913 3/20 0.39
KDR P35968 2/20 0.39
TEK Q02763 2/20 0.39
PPARA Q07869 1/20 0.39
PTGES O14684 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
CSF1R P07333 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3408411 0.92 DYRK1A (0.43) MAPTCSNK1DDYRK1AMCHR1NPC1
SCHEMBL13071496 0.89 CSNK1D (0.40) MAPTCSNK1DDYRK1AMCHR1NPC1
SCHEMBL2865968 0.88 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL2870138 0.86 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL543875 0.85 EPHX2 (0.45) MAPTCSNK1DDYRK1AMCHR1ACP1
SCHEMBL1461131 0.84 EPHX2 (0.45) MAPTRAB9ASMN1; SMN2EPHX2KMT2A
SCHEMBL2854987 0.84 MAPT (0.47) MAPTCSNK1DDYRK1ANPC1RAB9A
SCHEMBL2866891 0.84 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL2867284 0.84 MAPT (0.41) MAPTCSNK1DDYRK1ANPC1RAB9A
SCHEMBL2855233 0.82 MAPT (0.45) MAPTCSNK1DDYRK1AACP1PPARA

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 6 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-2003090746-A1 1,3-THIAZOLES AS LXR MODULATORS IN THE TREATMENT OF CARDIOVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-06 WO 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 3030/4885CSNK1D 1024/4885DYRK1A 1717/4885

“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.