SCHEMBL3570736

SCHEMBL3570736

O=C(O)c1ccc2[nH]c(-c3ccc(Cc4ccc5c(c4)OCCO5)cc3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 10/20 0.70
▸ HDAC6 Q9UBN7 1/20 0.51
▸ NR4A2 P43354 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ MPL P40238 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.43

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
SCHEMBL3565581 0.91 CHEK2 (0.85) CHEK2HDAC6
SCHEMBL3565185 0.86 CHEK2 (0.69) CHEK2HDAC6NR4A2KDM4EKMT2A
SCHEMBL1381010 0.82 CHEK2 (1.00) CHEK2HDAC6
SCHEMBL3562405 0.82 CHEK2 (0.71) CHEK2HDAC6NR4A2KDM4EKMT2A
SCHEMBL5176577 0.82 CHEK2 (0.66) CHEK2HDAC6KDM4EKMT2AMEN1
SCHEMBL3567770 0.81 CHEK2 (0.66) CHEK2HDAC6NR4A2KDM4EKMT2A
SCHEMBL3571326 0.81 CHEK2 (0.67) CHEK2NR4A2KDM4EKMT2AMEN1
SCHEMBL3568288 0.81 CHEK2 (0.72) CHEK2NR4A2KDM4EKMT2AMEN1
SCHEMBL3564131 0.81 CHEK2 (0.68) CHEK2NR4A2KDM4EKMT2AMEN1
SCHEMBL3567262 0.81 CHEK2 (0.68) CHEK2NR4A2KDM4EKMT2AHPGD

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 1636/4885NR4A2 969/4885

“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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