SCHEMBL21096773

SCHEMBL21096773

Cl[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.56
KLK7 P49862 11/20 0.46
KLK5 Q9Y337 9/20 0.46
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 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
SCHEMBL4752349 0.90 BCHE (0.65) BCHEKLK7KLK5
SCHEMBL21574397 0.90 BCHE (0.65) BCHEKLK7KLK5
SCHEMBL17104794 0.83 BCHE (0.58) BCHEKLK7KLK5
SCHEMBL12258542 0.81 BCHE (0.60) BCHEKLK7KLK5
SCHEMBL16403009 0.81 BCHE (0.60) BCHEKLK7KLK5
SCHEMBL12902908 0.81 BCHE (0.60) BCHEKLK7KLK5
SCHEMBL2392192 0.81 BCHE (0.60) BCHEKLK7KLK5
SCHEMBL21258139 0.81 BCHE (0.60) BCHEKLK7KLK5
SCHEMBL12258553 0.81 BCHE (0.56) BCHEKLK7KLK5
SCHEMBL2399000 0.81 BCHE (0.60) BCHEKLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10406140-B2 5-substituted benzimidazole and 5-substituted azabenzimidazole derivative both having AMPK activation effect SHIONOGI & CO., LTD. (JP) 2019-09-10 US disclosed
US-20190183866-A1 5-SUBSTITUTED BENZIMIDAZOLE AND 5-SUBSTITUTED AZABENZIMIDAZOLE DERIVATIVE BOTH HAVING AMPK ACTIVATION EFFECT SHIONOGI & CO., LTD. (JP) 2019-06-20 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 (2 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-20190183866-A1 5-SUBSTITUTED BENZIMIDAZOLE AND 5-SUBSTITUTED AZABENZIMIDAZOLE DERIVATIVE BOTH HAVING AMPK ACTIVATION EFFECT PRKAG2, PRKAB2, PRKAG1 BCHE 3233/4885KLK7 4094/4885KLK5 3671/4885
US-10406140-B2 5-substituted benzimidazole and 5-substituted azabenzimidazole derivative both having AMPK activation effect PRKAG2, PRKAB2, PRKAG1 BCHE 3233/4885KLK7 4094/4885KLK5 3671/4885

“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.