SCHEMBL465513

SCHEMBL465513

c1ccc(-c2nc3ccccc3[nH]2)c(OCCCCCOc2ccccc2-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.62
PDE4A P27815 5/20 0.61
PDE4B Q07343 5/20 0.61
PDE4C Q08493 5/20 0.61
PDE4D Q08499 5/20 0.61
AMY1A P0DUB6 1/20 0.55
NPC1 O15118 7/20 0.54
ALDH1A1 P00352 7/20 0.54
RAB9A P51151 6/20 0.54
KDM4E B2RXH2 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPSR1 Q6W5P4 4/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 3/20 0.54
PKM P14618 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL38656506 0.93 PDE5A (0.72) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL12088079 0.85 PDE5A (0.68) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9269452 0.84 PDE5A (0.56) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL25711628 0.84 PDE5A (0.60) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL30835050 0.82 PDE5A (0.70) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28286332 0.82 PDE5A (0.70) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL2310980 0.81 ALDH1A1 (0.54) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL18898887 0.80 NPC1 (0.63) PDE5AAMY1ANPC1ALDH1A1RAB9A
SCHEMBL2096955 0.80 AMY1A (0.58) PDE5AAMY1ANPC1ALDH1A1RAB9A
SCHEMBL31027930 0.80 AMY1A (0.76) PDE5AAMY1ANPC1ALDH1A1RAB9A

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 PDE5A 4650/4885PDE4A 4482/4885PDE4B 4484/4885

“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.