SCHEMBL2145359

SCHEMBL2145359

NC(=O)c1c(O)ncn1Cc1ccc(NC(=O)Nc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
PABPC1 P11940 1/20 0.44
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
YTHDC1 Q96MU7 1/20 0.42
PKM P14618 2/20 0.41
NAMPT P43490 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
NR1H4 Q96RI1 4/20 0.40
PPIA P62937 2/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1I2 O75469 1/20 0.40
PTGER4 P35408 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL2145641 0.92 RAB9A (0.46) MEN1KMT2ATP53PKMGAA
SCHEMBL2145723 0.90 NPC1 (0.52) MEN1KMT2APPIAPOLBEPHX2
SCHEMBL2145865 0.89 MEN1 (0.43) MEN1KMT2ANAMPTPOLBCA12
SCHEMBL2145467 0.88 KMT2A (0.44) MEN1KMT2ATP53GAAPOLB
SCHEMBL2145497 0.88 RAB9A (0.49) MEN1KMT2ATP53GAAPOLB
SCHEMBL2145560 0.87 EGLN3 (0.41) ITGB1ITGA4PKMNAMPTGAA
SCHEMBL13651666 0.87 KMT2A (0.46) KMT2APKMGAATSHR
SCHEMBL2145625 0.86 HDAC1 (0.44) PKMGAATSHR
SCHEMBL2145339 0.86 NR1I2 (0.46) MEN1KMT2AITGB1ITGA4PKM
SCHEMBL2145164 0.86 KMT2A (0.50) MEN1KMT2ATP53NAMPTGAA

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 MEN1 2825/4885KMT2A 2324/4885TP53 3806/4885

“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.