SCHEMBL2145693

SCHEMBL2145693

COc1cccc(C(=O)Nc2ccc(Cn3cnc(O)c3C(N)=O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
TP53 P04637 3/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KCNQ3 O43525 1/20 0.52
KCNQ2 O43526 1/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 2/20 0.51
PKM P14618 2/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
AR P10275 1/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51

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
SCHEMBL2145122 0.88 L3MBTL1 (0.53) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL2145038 0.87 MAPT (0.56) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL2145538 0.85 POLB (0.47) SMN1; SMN2NPC1RAB9AKDM4ETSHR
SCHEMBL2145158 0.83 NPC1 (0.53) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL2145243 0.83 SAE1 (0.52) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL7984937 0.82 ADORA3 (0.52) SMN1; SMN2NPC1RAB9AKDM4EKCNQ3
SCHEMBL2145206 0.81 RAB9A (0.49) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL2145570 0.80 MAPT (0.53) SMN1; SMN2NPC1RAB9ATP53TSHR
SCHEMBL2145528 0.79 NPC1 (0.49) SMN1; SMN2NPC1RAB9ATP53KCNQ3
SCHEMBL2145324 0.79 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9AKCNQ3KCNQ2

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 SMN1; SMN2 4813/4885NPC1 1430/4885RAB9A 2518/4885

“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.