SCHEMBL2644153

SCHEMBL2644153

[O]c1cnccc1OC(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4A P27815 4/20 0.33
PDE4D Q08499 4/20 0.33
CA1 P00915 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
DRD1 P21728 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31

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
SCHEMBL13724635 0.76 KDM4E (0.36) KDM4EGAACA12CA2CA9
SCHEMBL4072244 0.76 GAA (0.39) KDM4EGAACA12CA2CA9
SCHEMBL4072241 0.76 KDM4E (0.36) KDM4EGAACA12CA2CA9
SCHEMBL2644157 0.76 KDM4E (0.39) KDM4EGAACA12CA2CA9
SCHEMBL16114581 0.76 DRD1 (0.38) KDM4EGAACA12CA2CA9
SCHEMBL3932211 0.74 KDM4C (0.44) KDM4EGAALMNAPOLBMAPT
SCHEMBL31543981 0.73 KDM4E (0.37) KDM4EGAALMNAPOLBMAPT
SCHEMBL30490353 0.73 SIRT3 (0.50) KDM4EGAALMNAPOLBMAPT
SCHEMBL14943109 0.72 CYP2E1 (0.38) KDM4EGAACA12CA2CA9
SCHEMBL2645277 0.70 DRD1 (0.46) KDM4EPOLBKMT2APDE4APDE4D

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 KDM4E 2940/4885GAA 86/4885CA12 3942/4885

“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.