SCHEMBL2145122

SCHEMBL2145122

COc1ccc(C(=O)Nc2ccc(Cn3cnc(O)c3C(N)=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
HIF1A Q16665 1/20 0.53
EPAS1 Q99814 1/20 0.53
SNCA P37840 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PKM P14618 1/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
NR3C1 P04150 3/20 0.50
LMNA P02545 2/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KMT2A Q03164 2/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL2145243 0.90 SAE1 (0.52) HIF1ANPC1RAB9ATP53SMN1; SMN2
SCHEMBL2145206 0.88 RAB9A (0.49) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL2145693 0.88 SMN1; SMN2 (0.52) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL2145528 0.87 NPC1 (0.49) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL2145324 0.86 ALDH1A1 (0.55) SNCANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2145538 0.86 POLB (0.47) HIF1AEPAS1NPC1RAB9ASMN1; SMN2
SCHEMBL2145158 0.82 NPC1 (0.53) NPC1RAB9AKDM4EKMT2APTGDR2
SCHEMBL2145570 0.82 MAPT (0.53) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL2146009 0.81 CYP11B2 (0.50) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL2145038 0.81 MAPT (0.56) HIF1ANPC1RAB9ATP53SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329738-B2 Use of AMPK-activating imidazole derivatives, preparation process therefor and pharmaceutical compositions comprising them MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-12-11 US claimed
EP-2040702-B1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GMBH (DE) 2011-07-27 EP claimed
US-20090253764-A1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GESELLSCHAFT (DE) 2009-10-08 US claimed
EP-2040702-A1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Merck Patent GmbH (DE) 2009-04-01 EP claimed
WO-2008006432-A1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GMBH (DE) 2008-01-17 WO claimed
US-8329738-B2 Use of AMPK-activating imidazole derivatives, preparation process therefor and pharmaceutical compositions comprising them MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-12-11 US disclosed
EP-2040702-B1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GMBH (DE) 2011-07-27 EP disclosed
US-20090253764-A1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GESELLSCHAFT (DE) 2009-10-08 US disclosed
EP-2040702-A1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Merck Patent GmbH (DE) 2009-04-01 EP disclosed
WO-2008006432-A1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GMBH (DE) 2008-01-17 WO disclosed

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-20090253764-A1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PRKAG1, PRKAB1, PRKAG2 L3MBTL1 4758/4885HIF1A 686/4885EPAS1 912/4885

“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.