SCHEMBL2145876

SCHEMBL2145876

CCOC(=O)c1ncn(CCOc2ccccc2)c1O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
PTPN7 P35236 1/20 0.44
DUSP3 P51452 1/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL2145448 0.88 NPC1 (0.49) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL2145585 0.86 MAPK1 (0.54) RAB9AL3MBTL1TDP1SMN1; SMN2MAPT
SCHEMBL2146065 0.86 GABRA1 (0.48) MAPTALDH1A1
SCHEMBL2145861 0.84 L3MBTL1 (0.52) NPC1RAB9AL3MBTL1TSHRGAA
SCHEMBL2145473 0.82 GAA (0.51) NPC1RAB9AL3MBTL1TSHRGAA
SCHEMBL2145110 0.81 TSHR (0.52) NPC1RAB9ATSHRGAASMN1; SMN2
SCHEMBL2146055 0.81 RAB9A (0.45) NPC1RAB9AL3MBTL1TSHRGAA
SCHEMBL2454528 0.76 MEN1 (0.47) NPC1RAB9AL3MBTL1TSHRGAA
SCHEMBL2145870 0.74 MAPK1 (0.57) NPC1RAB9AL3MBTL1TSHRGAA
SCHEMBL2145878 0.73 RXFP1 (0.48) NPC1RAB9AGAASMN1; SMN2HTT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 1430/4885RAB9A 2518/4885L3MBTL1 4758/4885

“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.