SCHEMBL2645252

SCHEMBL2645252

NC(=O)c1ccncc1[O]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
SIRT3 Q9NTG7 2/20 0.57
KDM4E B2RXH2 4/20 0.48
KDM4C Q9H3R0 4/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM6B O15054 2/20 0.48
KDM4A O75164 2/20 0.48
KDM4D Q6B0I6 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.46
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
SARM1 Q6SZW1 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
SIRT1 Q96EB6 1/20 0.45

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
SCHEMBL1687197 0.82 TDP1 (0.67) TDP1SIRT3KDM4EKDM4CALDH1A1
SCHEMBL1330970 0.82 TDP1 (0.67) TDP1SIRT3KDM4EKDM4CALDH1A1
SCHEMBL11503231 0.80 KDM4C (0.67) TDP1KDM4EKDM4CALDH1A1KDM6B
SCHEMBL5700307 0.78 TDP1 (0.57) TDP1SIRT3KDM4EKDM4CALDH1A1
SCHEMBL2645253 0.78 TDP1 (0.57) TDP1SIRT3KDM4EKDM4CALDH1A1
SCHEMBL2139056 0.78 KDM4E (0.70) TDP1SIRT3KDM4EKDM4CALDH1A1
SCHEMBL2618803 0.77 TDP1 (0.55) TDP1SIRT3KDM4EKDM4CALDH1A1
SCHEMBL17438491 0.77 TDP1 (0.55) TDP1SIRT3KDM4EKDM4CALDH1A1
SCHEMBL11870062 0.77 KDM4C (0.62) TDP1SIRT3KDM4EKDM4CALDH1A1
SCHEMBL3392091 0.77 KDM4C (0.62) TDP1SIRT3KDM4EKDM4CALDH1A1

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 TDP1 2412/4885SIRT3 88/4885KDM4E 2940/4885

“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.