SCHEMBL3565186

SCHEMBL3565186

COc1ccc(C(O)c2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 17/20 0.69
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
GFER P55789 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PRSS12 P56730 1/20 0.50

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
SCHEMBL1662758 0.92 CHEK2 (0.76) CHEK2KDM4EALDH1A1MEN1CYP1A2
SCHEMBL1379199 0.90 CHEK2 (0.84) CHEK2
SCHEMBL3572190 0.89 CHEK2 (0.71) CHEK2KDM4EALDH1A1MEN1CYP1A2
SCHEMBL3916748 0.89 CHEK2 (0.82) CHEK2KDM4EALDH1A1MEN1CYP1A2
SCHEMBL3564159 0.87 CHEK2 (0.67) CHEK2KDM4EALDH1A1MEN1GLA
SCHEMBL3573429 0.87 CHEK2 (0.67) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL3632232 0.85 CHEK2 (0.71) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL3568045 0.85 CHEK2 (0.67) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL1664788 0.85 CHEK2 (0.68) CHEK2KDM4EALDH1A1MEN1CYP1A2
SCHEMBL5897567 0.84 CHEK2 (0.69) 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 3 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
US-7132440-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-07 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 14/4885KDM4E 3815/4885ALDH1A1 1427/4885

“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.