SCHEMBL2645556

SCHEMBL2645556

NC(=O)c1cncc([O])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.47
SIRT1 Q96EB6 7/20 0.47
SIRT3 Q9NTG7 7/20 0.47
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
SARM1 Q6SZW1 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
SIRT4 Q9Y6E7 1/20 0.47
MKNK1 Q9BUB5 5/20 0.46
MKNK2 Q9HBH9 5/20 0.46
RAF1 P04049 1/20 0.42
PKMYT1 Q99640 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
DDO Q99489 1/20 0.42
MAP4K4 O95819 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
SCHEMBL2841794 0.85 SIRT2 (0.54) SIRT2SIRT1SIRT3F7F3
SCHEMBL6754398 0.79 MKNK1 (0.67) SIRT2SIRT1SIRT3F7F3
SCHEMBL6744448 0.79 HCAR2 (0.59) MKNK1MKNK2RAF1KDM4EMEN1
SCHEMBL458871 0.77 KDM4E (0.50) SIRT2SIRT1SIRT3F7F3
SCHEMBL520949 0.77 KDM4E (0.69) SIRT2SIRT1SIRT3F7F3
SCHEMBL30033490 0.77 KDM4E (0.69) SIRT2SIRT1SIRT3F7F3
SCHEMBL1242033 0.77 MKNK1 (0.65) SIRT2SIRT1SIRT3F7F3
SCHEMBL4482557 0.76 SIRT2 (0.45) SIRT2SIRT1SIRT3F7F3
SCHEMBL4482560 0.76 SIRT2 (0.45) SIRT2SIRT1SIRT3F7F3
SCHEMBL832732 0.76 HCAR2 (0.67) SIRT2SIRT1SIRT3F7F3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 SIRT2 247/4885SIRT1 201/4885SIRT3 88/4885

“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.