SCHEMBL3562405

SCHEMBL3562405

O=C(O)c1ccc2[nH]c(-c3ccc(C(O)c4ccc5c(c4)OCCO5)cc3)nc2c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 15/20 0.71
▸ HDAC6 Q9UBN7 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NR4A2 P43354 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 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
SCHEMBL3565315 0.94 CHEK2 (0.71) CHEK2KDM4EKMT2ANR4A2MEN1
SCHEMBL1381793 0.91 CHEK2 (0.85) CHEK2
SCHEMBL3565185 0.85 CHEK2 (0.69) CHEK2HDAC6KDM4EKMT2ANR4A2
SCHEMBL1379297 0.85 CHEK2 (0.85) CHEK2
SCHEMBL3573429 0.84 CHEK2 (0.67) CHEK2KDM4EKMT2ANR4A2RAB9A
SCHEMBL5676245 0.83 CHEK2 (1.00) CHEK2
SCHEMBL3570736 0.82 CHEK2 (0.70) CHEK2HDAC6KDM4EKMT2ANR4A2
SCHEMBL5176065 0.82 CHEK2 (0.66) CHEK2HDAC6
SCHEMBL3564159 0.82 CHEK2 (0.67) CHEK2KDM4EKMT2ANR4A2MEN1
SCHEMBL3568045 0.82 CHEK2 (0.67) CHEK2KDM4EKMT2ANR4A2ALDH1A1

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 14/4885HDAC6 1636/4885KDM4E 3815/4885

“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.

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