SCHEMBL465499

SCHEMBL465499

N#Cc1ccc2[nH]c(-c3cccc(OCCCCCOc4cccc(-c5nc6cc(C#N)ccc6[nH]5)c4)c3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.54
HDAC3 O15379 13/20 0.54
HDAC4 P56524 13/20 0.54
HDAC1 Q13547 13/20 0.54
HDAC7 Q8WUI4 13/20 0.54
HDAC2 Q92769 13/20 0.54
HDAC10 Q969S8 13/20 0.54
HDAC11 Q96DB2 13/20 0.54
HDAC8 Q9BY41 13/20 0.54
HDAC9 Q9UKV0 13/20 0.54
HDAC5 Q9UQL6 13/20 0.54
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
CHEK2 O96017 2/20 0.49
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
RHEB Q15382 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 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
SCHEMBL13305846 0.91 HDAC6 (0.47) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL13871746 0.87 HDAC6 (0.44) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL465554 0.82 PPARG (0.68) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL465531 0.82 HDAC6 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL465475 0.81 HDAC6 (0.75) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL465650 0.81 HDAC6 (0.56) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL465587 0.81 HDAC6 (0.59) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL6061802 0.79 RHEB (0.57) CHEK2PKN1PKN2RHEB
SCHEMBL28267390 0.78 CHEK2 (0.61) CHEK2PKN1PKN2RHEB
SCHEMBL465509 0.77 HDAC6 (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7

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 6 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
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
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

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 HDAC6 758/4885HDAC3 237/4885HDAC4 1357/4885

“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.