SCHEMBL465519

SCHEMBL465519

CCOC(=O)c1ccc2[nH]c(-c3ccc(OCCOc4ccc(-c5nc6cc(C(=O)OCC)ccc6[nH]5)cc4)cc3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.62
SIRT1 Q96EB6 5/20 0.62
SIRT3 Q9NTG7 2/20 0.62
PKN1 Q16512 1/20 0.60
PKN2 Q16513 1/20 0.60
CHEK2 O96017 5/20 0.56
PLG P00747 2/20 0.52
PLAU P00749 2/20 0.52
HDAC6 Q9UBN7 1/20 0.51
MAPT P10636 1/20 0.51
PARP1 P09874 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL20001715 0.86 SIRT2 (0.65) SIRT2SIRT1SIRT3PKN1PKN2
SCHEMBL18668553 0.86 SIRT2 (0.83) SIRT2SIRT1SIRT3PKN1PKN2
SCHEMBL17275543 0.86 PKN1 (0.65) SIRT2SIRT1SIRT3PKN1PKN2
SCHEMBL30343739 0.84 SIRT2 (0.83) SIRT2SIRT1SIRT3PKN1PKN2
SCHEMBL19994487 0.84 SIRT2 (0.83) SIRT2SIRT1SIRT3PKN1PKN2
SCHEMBL7333347 0.83 SMN1; SMN2 (0.54) CHEK2PLGPLAUHDAC6MAPT
SCHEMBL16329639 0.81 CHEK2 (0.65) CHEK2PLGPLAUHDAC6MAPT
SCHEMBL13305839 0.81 PLG (0.60) CHEK2PLGPLAUHDAC6
SCHEMBL7334119 0.81 RARB (0.62) CHEK2PLGPLAU
SCHEMBL1663387 0.80 CHEK2 (0.66) CHEK2PLGPLAUHDAC6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194981-B1 BISBENZIMIDAZOLES AS ANTIMALARIAL AGENTS UNIV MONS HAINAUT (BE) 2011-11-23 EP disclosed
US-20100160402-A1 Bisbenzimidazoles as antimalarial agents XAVIER UNIVERSITY OF LOUISIANA 2010-06-24 US disclosed
US-20100160402-A1 Bisbenzimidazoles as antimalarial agents XAVIER UNIVERSITY OF LOUISIANA 2010-06-24 US disclosed
US-20100160402-A1 Bisbenzimidazoles as antimalarial agents XAVIER UNIVERSITY OF LOUISIANA 2010-06-24 US disclosed
EP-2194981-A1 BISBENZIMIDAZOLES AS ANTIMALARIAL AGENTS Université de Mons-Hainaut (BE) 2010-06-16 EP disclosed
WO-2009043902-A1 BISBENZIMIDAZOLES AS ANTIMALARIAL AGENTS UNIVERSITE DE MONS HAINAUT (BE) 2009-04-09 WO disclosed
WO-2009043902-A1 BISBENZIMIDAZOLES AS ANTIMALARIAL AGENTS UNIVERSITE DE MONS HAINAUT (BE) 2009-04-09 WO 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-20100160402-A1 Bisbenzimidazoles as antimalarial agents NQO2, SQOR, CPS1 SIRT2 511/4885SIRT1 1053/4885SIRT3 682/4885

“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.