SCHEMBL465531

SCHEMBL465531

Nc1ccc2[nH]c(-c3cccc(OCCCCCOc4cccc(-c5nc6cc(N)ccc6[nH]5)c4)c3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.57
HDAC3 O15379 10/20 0.57
HDAC4 P56524 10/20 0.57
HDAC1 Q13547 10/20 0.57
HDAC7 Q8WUI4 10/20 0.57
HDAC2 Q92769 10/20 0.57
HDAC10 Q969S8 10/20 0.57
HDAC11 Q96DB2 10/20 0.57
HDAC8 Q9BY41 10/20 0.57
HDAC9 Q9UKV0 10/20 0.57
HDAC5 Q9UQL6 10/20 0.57
PRMT1 Q99873 1/20 0.54
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 2/20 0.53
USP2 O75604 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL13871463 0.86 HDAC6 (0.46) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL465554 0.85 PPARG (0.68) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL465475 0.84 HDAC6 (0.75) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL465650 0.84 HDAC6 (0.56) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL465587 0.84 HDAC6 (0.59) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL31154259 0.83 NPC1 (0.68) PRMT1MEN1POLBKMT2AGAA
SCHEMBL12351269 0.82 MEN1 (0.76) PRMT1MEN1POLBKMT2AGAA
SCHEMBL31289455 0.82 CHEK2 (0.64) PRMT1MEN1POLBKMT2AGAA
SCHEMBL465499 0.82 HDAC6 (0.54) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29596534 0.81 ALDH1A1 (0.77) PRMT1MEN1POLBKMT2AGAA

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.