SCHEMBL465463

SCHEMBL465463

c1ccc2[nH]c(-c3ccc(OCCCCCOc4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.73
HDAC4 P56524 9/20 0.73
HDAC1 Q13547 9/20 0.73
HDAC7 Q8WUI4 9/20 0.73
HDAC2 Q92769 9/20 0.73
HDAC10 Q969S8 9/20 0.73
HDAC11 Q96DB2 9/20 0.73
HDAC8 Q9BY41 9/20 0.73
HDAC6 Q9UBN7 9/20 0.73
HDAC9 Q9UKV0 9/20 0.73
HDAC5 Q9UQL6 9/20 0.73
ACHE P22303 4/20 0.73
CHRNB4 P30926 1/20 0.68
CHRNA3 P32297 1/20 0.68
CHRNA7 P36544 1/20 0.68
DRD3 P35462 2/20 0.67
ATP4A P20648 1/20 0.67
ATP4B P51164 1/20 0.67
KDM4E B2RXH2 1/20 0.66
NPC1 O15118 1/20 0.66

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
SCHEMBL465440 1.00 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL465560 1.00 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL465443 0.98 ACHE (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL465492 0.95 ACHE (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9320573 0.93 ATP4A (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9006360 0.93 ACHE (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5141117 0.92 ATP4A (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5639983 0.90 ACHE (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31063784 0.88 ACHE (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11624627 0.88 ACHE (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2

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 HDAC3 237/4885HDAC4 1357/4885HDAC1 963/4885

“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.