SCHEMBL1147352

SCHEMBL1147352

CCN(CC)CCCCC(=O)CCCCN(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.50
KDM5A P29375 5/20 0.46
KDM4C Q9H3R0 3/20 0.46
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
PHF8 Q9UPP1 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
MAOB P27338 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL1147864 0.92 PAOX (0.47) PAOXKDM5AKDM4CMAPTKMT2A
SCHEMBL115465 0.87 KMT2A (0.57) PAOXMAPTKMT2AALDH1A1
SCHEMBL114396 0.87 KMT2A (0.57) PAOXMAPTKMT2AALDH1A1
SCHEMBL736637 0.87 KMT2A (0.57) PAOXMAPTKMT2AALDH1A1
SCHEMBL115642 0.87 KMT2A (0.57) PAOXMAPTKMT2AALDH1A1
SCHEMBL28703218 0.86 PAOX (0.47) PAOXKDM5AKDM4CAPOBEC3AAPOBEC3G
SCHEMBL6668912 0.83 PAOX (0.48) PAOXKDM5AKDM4CKMT2AAPOBEC3A
SCHEMBL21391387 0.83 PAOX (0.44) PAOXKDM5AKDM4CMAPTKMT2A
SCHEMBL6820944 0.83 PAOX (0.69) PAOXKDM5AKDM4CAPOBEC3AAPOBEC3G
SCHEMBL5393582 0.83 KDM5A (0.58) KDM5AKDM4CKMT2AALDH1A1PHF8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110045100-A1 Antimalarial Quinolines and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2011-02-24 US disclosed
WO-2009148659-A2 ANTIMALARIAL QUINOLINES AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2009-12-10 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-20110045100-A1 Antimalarial Quinolines and Methods of Use Thereof NQO2, QTRT1, QTRT2 PAOX 2375/4885KDM5A 954/4885KDM4C 552/4885

“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.