SCHEMBL465476

SCHEMBL465476

Oc1ccc2[nH]c(-c3ccc(OCCCOc4ccc(-c5nc6cc(O)ccc6[nH]5)cc4)cc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLG P00747 4/20 0.56
PLAU P00749 4/20 0.56
HDAC3 O15379 9/20 0.52
HDAC4 P56524 9/20 0.52
HDAC1 Q13547 9/20 0.52
HDAC7 Q8WUI4 9/20 0.52
HDAC2 Q92769 9/20 0.52
HDAC10 Q969S8 9/20 0.52
HDAC11 Q96DB2 9/20 0.52
HDAC8 Q9BY41 9/20 0.52
HDAC6 Q9UBN7 9/20 0.52
HDAC9 Q9UKV0 9/20 0.52
HDAC5 Q9UQL6 9/20 0.52
ACHE P22303 1/20 0.51
CHEK2 O96017 2/20 0.51
ATP4A P20648 1/20 0.48
ATP4B P51164 1/20 0.48

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
SCHEMBL21017182 0.86 PLG (0.51) PLGPLAUHDAC3HDAC4HDAC1
SCHEMBL5579984 0.83 CHEK1 (0.59) CHEK2
SCHEMBL21018408 0.83 CHEK2 (0.61) PLGPLAUHDAC3HDAC4HDAC1
SCHEMBL21017203 0.82 ACHE (0.60) PLGPLAUHDAC3HDAC4HDAC1
SCHEMBL20982723 0.82 CHEK2 (0.61) PLGPLAUHDAC3HDAC4HDAC1
SCHEMBL21017881 0.81 PLG (0.53) PLGPLAUHDAC3HDAC4HDAC1
SCHEMBL9306624 0.80 HPSE (0.52) CHEK2
SCHEMBL465492 0.80 ACHE (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL465477 0.80 NPC1 (0.56) PLGPLAUHDAC3HDAC4HDAC1
SCHEMBL13305839 0.79 PLG (0.60) PLGPLAUHDAC3HDAC4HDAC1

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 PLG 3016/4885PLAU 4421/4885HDAC3 237/4885

“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.