SCHEMBL2145896

SCHEMBL2145896

COC(=O)c1ccc(OCCn2cnc(O)c2C(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
MAPT P10636 5/20 0.54
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 6/20 0.45
HTT P42858 4/20 0.45
TBXAS1 P24557 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL2145612 0.88 TBXAS1 (0.52) MAPK1SMN1; SMN2HTTTBXAS1L3MBTL1
SCHEMBL2145517 0.83 MAPK1 (0.56) MAPK1MAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL2145545 0.83 NSD2 (0.49) MAPK1RAB9AKDM4ESMN1; SMN2HTT
SCHEMBL2145646 0.82 GAA (0.51) MAPK1RAB9ASMN1; SMN2HTTTBXAS1
SCHEMBL2145381 0.81 NSD2 (0.51) MAPTKDM4ETBXAS1TDP1ALDH1A1
SCHEMBL2145870 0.77 MAPK1 (0.57) MAPK1MAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL2145585 0.74 MAPK1 (0.54) MAPK1MAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL2146056 0.73 MAPK1 (0.51) MAPK1MAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL1951546 0.72 MAPT (1.00) MAPTRAB9AKDM4ESMN1; SMN2TDP1
SCHEMBL2146120 0.72 MAPK1 (0.52) MAPK1MAPTRAB9AKDM4ESMN1; 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 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 MAPK1 356/4885MAPT 3516/4885RAB9A 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.