SCHEMBL7604950

SCHEMBL7604950

COc1ccc(C(=O)Nc2ccncc2)c2c1OC1(CCCC1CS(=O)(=O)O)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PKM P14618 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
JAK2 O60674 2/20 0.40
TYK2 P29597 1/20 0.39
LMNA P02545 1/20 0.39
ATP4A P20648 2/20 0.38
ATP4B P51164 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5722896 0.85 PDE4A (0.40) KCNMA1PDE4APDE4BPDE4CPDE4D
SCHEMBL6837613 0.81 PDE4A (0.40) KCNMA1PDE4APDE4BPDE4CPDE4D
SCHEMBL5723143 0.80 KCNMA1 (0.48) KCNMA1PDE4APDE4BPDE4CPDE4D
SCHEMBL5722888 0.79 KCNMA1 (0.41) KCNMA1PDE4APDE4BPDE4CPDE4D
SCHEMBL5723120 0.77 KCNMA1 (0.52) KCNMA1PDE4APDE4BPDE4CPDE4D
SCHEMBL6836458 0.75 KCNMA1 (0.56) KCNMA1PDE4APDE4BPDE4CPDE4D
SCHEMBL6837363 0.73 PKM (0.47) KCNMA1PDE4APDE4BPDE4CPDE4D
SCHEMBL5722998 0.73 SMN1; SMN2 (0.46) KCNMA1PDE4APDE4BPDE4CPDE4D
SCHEMBL5722930 0.70 SMN1; SMN2 (0.49) KCNMA1PDE4APDE4BPDE4CPDE4D
SCHEMBL5722858 0.70 PKM (0.50) KCNMA1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 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 (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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 KCNMA1 3248/4885PDE4A 4879/4885PDE4B 4877/4885

“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.