SCHEMBL2145257

SCHEMBL2145257

NC(=O)c1c(O)ncn1Cc1ccc(NC(=O)Nc2cccc3c2CCCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NR1I2 O75469 1/20 0.39
TSHR P16473 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38

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
SCHEMBL2145490 0.82 RAB9A (0.54) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL2145339 0.82 NR1I2 (0.46) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL2145513 0.82 NR1I2 (0.58) LMNAMEN1KMT2AKDM4EPOLB
SCHEMBL2145236 0.82 POLB (0.54) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL2145641 0.81 RAB9A (0.46) MEN1KMT2AKDM4EPOLBSMN1; SMN2
SCHEMBL2145819 0.80 KDM4E (0.41) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL2145865 0.79 MEN1 (0.43) NAMPTMEN1KMT2AKDM4EPOLB
SCHEMBL2145580 0.79 RAB9A (0.56) ALDH1A1LMNAMEN1KMT2ATHRB
SCHEMBL2145305 0.79 KDM4E (0.51) ALDH1A1MEN1KMT2ATHRBKDM4E
SCHEMBL2145359 0.78 MEN1 (0.44) NAMPTMEN1KMT2APOLBNR1I2

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 8 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-2048141-B1 OPTICALLY PURE DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USES FOR THE PREPARATION OF A MEDICAMENT FOR TREATMENT AND PREVENTION OF VIRAL DISEASES. BEIJING MOLECULE SCIENCE AND TECH CO LTD (CN) 2017-06-14 EP disclosed
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
US-8329902-B2 Optically pure dihydropyrimidine compounds and their uses for the preparation of a medicament for treatment and prevention of viral diseases BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 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

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 NAMPT 320/4885ALDH1A1 1121/4885LMNA 2915/4885

“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.