SCHEMBL465475

SCHEMBL465475

c1cc(OCCCCCOc2cccc(-c3nc4ccccc4[nH]3)c2)cc(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.75
HDAC3 O15379 16/20 0.75
HDAC4 P56524 16/20 0.75
HDAC1 Q13547 16/20 0.75
HDAC7 Q8WUI4 16/20 0.75
HDAC2 Q92769 16/20 0.75
HDAC10 Q969S8 16/20 0.75
HDAC11 Q96DB2 16/20 0.75
HDAC8 Q9BY41 16/20 0.75
HDAC9 Q9UKV0 16/20 0.75
HDAC5 Q9UQL6 16/20 0.75
PPARG P37231 1/20 0.60
PPARA Q07869 1/20 0.60
KDM4E B2RXH2 2/20 0.57
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TP53 P04637 1/20 0.57

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
SCHEMBL9094859 0.94 HDAC3 (0.68) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5642258 0.87 CHEK2 (0.69) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL465554 0.84 PPARG (0.68) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL465531 0.84 HDAC6 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL465560 0.84 HDAC3 (0.73) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL465440 0.84 HDAC3 (0.73) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL465463 0.84 HDAC3 (0.73) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL19876187 0.84 ALDH1A1 (0.65) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL12471460 0.84 DHODH (0.59) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL465650 0.83 HDAC6 (0.56) 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
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

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.