SCHEMBL3565309

SCHEMBL3565309

COc1ccccc1Cc1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 8/20 0.71
PDE4A P27815 4/20 0.55
PDE4B Q07343 4/20 0.55
PDE4C Q08493 4/20 0.55
PDE4D Q08499 4/20 0.55
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NR4A2 P43354 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HPSE Q9Y251 3/20 0.46
MPL P40238 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
SCHEMBL3573611 0.91 CHEK2 (0.85) CHEK2
SCHEMBL3572089 0.87 CHEK2 (0.69) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL3559406 0.84 CHEK2 (0.69) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL5178802 0.83 CHEK2 (0.67) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL5897432 0.82 CHEK2 (0.68) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL3567770 0.80 CHEK2 (0.66) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL3567262 0.80 CHEK2 (0.68) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL3632232 0.80 CHEK2 (0.71) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL15455891 0.79 PDE4A (0.65) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL1662758 0.79 CHEK2 (0.76) CHEK2KDM4EALDH1A1HPGDKMT2A

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-7687639-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-30 US disclosed
US-20060252793-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines BW CONVERTING AB (SE) 2006-11-09 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-20060252793-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDKN1A, DDB1, TMBIM6 CHEK2 14/4885PDE4A 2347/4885PDE4B 2818/4885

“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.