SCHEMBL3577360

SCHEMBL3577360

O=C(O)c1ccc2[nH]c(-c3ccc(C(O)C4CCOCC4)cc3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 14/20 0.70
NR4A2 P43354 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 1/20 0.46
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
KDM4A O75164 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL3563430 0.91 CHEK2 (0.85) CHEK2
SCHEMBL5680041 0.90 CHEK2 (0.69) CHEK2NR4A2KDM4EALDH1A1HPGD
SCHEMBL5178359 0.82 CHEK2 (0.65) CHEK2
SCHEMBL3562905 0.81 CHEK2 (0.84) CHEK2
SCHEMBL1378829 0.80 CHEK2 (0.70) CHEK2
SCHEMBL28930292 0.80 KDM4E (0.68) CHEK2NR4A2KDM4EALDH1A1HPGD
SCHEMBL1382299 0.79 CHEK2 (0.68) CHEK2
SCHEMBL7602620 0.79 KDM4E (0.70) CHEK2NR4A2KDM4EALDH1A1HPGD
SCHEMBL3573429 0.78 CHEK2 (0.67) CHEK2NR4A2KDM4EALDH1A1HPGD
SCHEMBL1662770 0.78 SIRT2 (0.60) CHEK2NR4A2KDM4EALDH1A1HPGD

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 14/4885NR4A2 969/4885KDM4E 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.