SCHEMBL2645679

SCHEMBL2645679

CNC(=O)c1ccc(O[O])cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.76
TSHR P16473 1/20 0.76
HTT P42858 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
PLK1 P53350 7/20 0.73
MMP13 P45452 2/20 0.66
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
CA2 P00918 3/20 0.52
CA1 P00915 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.47
PLAU P00749 1/20 0.47

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
SCHEMBL13184545 0.86 HPGD (1.00) HPGDTSHRHTTSMN1; SMN2PLK1
SCHEMBL250247 0.85 HDAC6 (0.80) HPGDTSHRHTTSMN1; SMN2PLK1
SCHEMBL837307 0.84 PLK1 (1.00) HPGDTSHRHTTSMN1; SMN2PLK1
SCHEMBL2645699 0.84 HPGD (0.80) HPGDTSHRHTTSMN1; SMN2PLK1
Hydrochloric Acid SCHEMBL11037223 0.83 PLK1 (0.96) HPGDTSHRHTTSMN1; SMN2PLK1
SCHEMBL15387047 0.83 HPGD (0.70) HPGDTSHRHTTSMN1; SMN2PLK1
SCHEMBL2538970 0.83 HPGD (0.70) HPGDTSHRHTTSMN1; SMN2PLK1
SCHEMBL19646821 0.81 SMN1; SMN2 (0.68) HPGDTSHRHTTSMN1; SMN2PLK1
SCHEMBL12893239 0.81 HPGD (0.68) HPGDTSHRHTTSMN1; SMN2PLK1
SCHEMBL520649 0.81 HPGD (0.68) HPGDTSHRHTTSMN1; SMN2PLK1

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 HPGD 3233/4885TSHR 3405/4885HTT 1433/4885

“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.