SCHEMBL2145448

SCHEMBL2145448

CCOC(=O)c1ncn(CCOc2ccc(F)cc2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
RXFP1 Q9HBX9 2/20 0.46
ALDH1A1 P00352 3/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
TBXAS1 P24557 2/20 0.43
NSD2 O96028 1/20 0.43
NSD3 Q9BZ95 1/20 0.43
GABRA2 P47869 3/20 0.42
GABRB2 P47870 3/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
MEN1 O00255 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 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
SCHEMBL2145876 0.88 NPC1 (0.47) NPC1LMNARAB9AALDH1A1TSHR
SCHEMBL2146065 0.86 GABRA1 (0.48) RXFP1ALDH1A1HRH2HRH1TBXAS1
SCHEMBL2145585 0.86 MAPK1 (0.54) LMNARAB9ATBXAS1SMN1; SMN2
SCHEMBL2145878 0.84 RXFP1 (0.48) NPC1LMNARAB9ARXFP1ALDH1A1
SCHEMBL2145752 0.83 NSD2 (0.49) NPC1RAB9ARXFP1TBXAS1NSD2
SCHEMBL2145421 0.82 ALDH1A1 (0.42) NPC1LMNARAB9ARXFP1ALDH1A1
SCHEMBL2146047 0.81 RXFP1 (0.45) NPC1RXFP1HRH2HRH1TBXAS1
SCHEMBL2145870 0.72 MAPK1 (0.57) NPC1LMNARAB9AALDH1A1TBXAS1
SCHEMBL2145861 0.71 L3MBTL1 (0.52) NPC1LMNARAB9AALDH1A1TBXAS1
SCHEMBL2145517 0.71 MAPK1 (0.56) LMNARAB9AALDH1A1TBXAS1MEN1

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 7 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
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 1430/4885LMNA 2915/4885RAB9A 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.