SCHEMBL465554

SCHEMBL465554

Cc1ccc2[nH]c(-c3cccc(OCCCCCCCOc4cccc(-c5nc6cc(C)ccc6[nH]5)c4)c3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.68
PPARA Q07869 1/20 0.68
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
CHEK2 O96017 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 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
SCHEMBL465650 0.86 HDAC6 (0.56) PPARGPPARAHDAC6HDAC3HDAC4
SCHEMBL465531 0.85 HDAC6 (0.57) PPARGPPARAHDAC6HDAC3HDAC4
SCHEMBL465475 0.84 HDAC6 (0.75) PPARGPPARAHDAC6HDAC3HDAC4
SCHEMBL465587 0.84 HDAC6 (0.59) PPARGPPARAHDAC6HDAC3HDAC4
SCHEMBL6124304 0.82 NPC1 (0.61) ALDH1A1MAPTKDM4ENPC1TP53
SCHEMBL465499 0.82 HDAC6 (0.54) PPARGPPARAHDAC6HDAC3HDAC4
SCHEMBL465509 0.82 HDAC6 (0.53) PPARGPPARAHDAC6HDAC3HDAC4
SCHEMBL9094859 0.81 HDAC3 (0.68) PPARGPPARAHDAC6HDAC3HDAC4
SCHEMBL21087331 0.81 NPC1 (0.60) ALDH1A1MAPTKDM4ENPC1TP53
SCHEMBL13305854 0.80 HDAC6 (0.57) PPARGPPARAHDAC6HDAC3HDAC4

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 4 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

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 PPARG 3603/4885PPARA 2717/4885HDAC6 758/4885

“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.