SCHEMBL465444

SCHEMBL465444

Clc1ccc2[nH]c(-c3ccc(OCCOc4ccc(-c5nc6cc(Cl)ccc6[nH]5)cc4)cc3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.64
HRH4 Q9H3N8 1/20 0.57
PLG P00747 1/20 0.52
PLAU P00749 1/20 0.52
AOC3 Q16853 2/20 0.52
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL9032997 0.86 ALDH1A1 (0.62) ACHEKDM4EMEN1ALDH1A1TP53
SCHEMBL3335014 0.85 ALDH1A1 (0.61) KDM4EMEN1ALDH1A1TP53CYP3A4
SCHEMBL23758272 0.84 NPC1 (0.64) ACHEKDM4EMEN1ALDH1A1TP53
SCHEMBL601440 0.83 HRH4 (0.85) ACHEHRH4DRD2DRD3
SCHEMBL465479 0.82 ACHE (0.54) ACHEPLGPLAUDRD3CHRNB4
SCHEMBL602179 0.81 HRH4 (0.62) ACHEHRH4DRD2DRD3
SCHEMBL5761334 0.79 ALDH1A1 (0.68) KDM4EMEN1ALDH1A1TP53CYP3A4
SCHEMBL22955330 0.79 KDM4E (0.71) KDM4EMEN1ALDH1A1TP53CYP3A4
SCHEMBL10380499 0.79 ALDH1A1 (0.54) KDM4EMEN1ALDH1A1TP53CYP3A4
SCHEMBL15245092 0.79 KDM4E (0.71) KDM4EMEN1ALDH1A1TP53CYP3A4

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 ACHE 4166/4885HRH4 85/4885PLG 3016/4885

“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.