SCHEMBL12445440

SCHEMBL12445440

CC(=O)NCc1nn[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.49
KDM4A O75164 1/20 0.49
KDM5A P29375 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGDS O60760 1/20 0.42
PLA2G2C Q5R387 1/20 0.42
LMNA P02545 1/20 0.42
FPR2 P25090 3/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.41
EPHX2 P34913 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL18116301 0.83 KDM6B (0.51) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL3051612 0.82 KDM6B (0.50) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL17038777 0.81 CA12 (0.47) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL17037043 0.81 KDM6B (0.46) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL25097470 0.80 CA12 (0.46) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL19755641 0.80 FPR2 (0.50) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL17034776 0.78 FPR2 (0.48) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL19487142 0.78 CA12 (0.59) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL25097162 0.76 CA12 (0.43) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL13417441 0.74 HPGDS (0.52) ALDH1A1HPGDSLMNAEPHX2CYP3A4

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
EP-3795568-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF Pharmakea, Inc. (US) 2021-03-24 EP disclosed
EP-3265456-B1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2020-11-18 EP disclosed
US-8633231-B2 Substituted imidazolones, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2014-01-21 US disclosed
US-20130123315-A1 SUBSTITUTED IMIDAZOLONES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2013-05-16 US disclosed
US-8361959-B2 Spiro-imidazolone derivatives as glucagon receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 US disclosed
US-20130012493-A1 NOVEL SPIRO IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 US disclosed
US-20110178007-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS SCHERING CORPORATION 2011-07-21 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 (4 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-20130012493-A1 NOVEL SPIRO IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GCGR, GIPR KDM6B 4431/4885KDM4A 4417/4885KDM5A 4642/4885
US-20130123315-A1 SUBSTITUTED IMIDAZOLONES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE UGT2B7, CYP3A43, UGT1A7 KDM6B 2917/4885KDM4A 2547/4885KDM5A 2102/4885
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GCGR, GIPR KDM6B 4161/4885KDM4A 4026/4885KDM5A 4586/4885
US-20110178007-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS GLP1R, GCGR, GIPR KDM6B 4567/4885KDM4A 4447/4885KDM5A 4668/4885

“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.