SCHEMBL14906905

SCHEMBL14906905

COc1ccc(C(=O)N/N=C/c2c(O)cc(Cl)cc2Cl)cc1O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.54
MAPT P10636 4/20 0.53
ALDH1A1 P00352 2/20 0.53
MPO P05164 1/20 0.52
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
KLF5 Q13887 1/20 0.50
PSMD14 O00487 1/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
PTPN11 Q06124 1/20 0.49
MEN1 O00255 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
SCHEMBL14907028 0.91 GCGR (0.61) GCGRKMT2AMEN1
SCHEMBL14906911 0.87 GCGR (0.54) GCGRMAPTALDH1A1KMT2AKDM4E
SCHEMBL14907120 0.86 GCGR (0.55) GCGRMAPTALDH1A1KMT2AKDM4E
SCHEMBL14906890 0.86 GCGR (0.53) GCGRKMT2AKDM4ENPC1HTT
SCHEMBL14906933 0.85 KDM4E (0.61) GCGRMAPTALDH1A1MPOKMT2A
SCHEMBL14906898 0.84 GCGR (0.62) GCGRMAPTALDH1A1KMT2AKDM4E
SCHEMBL14907118 0.82 MAPT (0.51) GCGRMAPTALDH1A1MPOKMT2A
SCHEMBL14907117 0.81 MAPT (0.61) GCGRMAPTALDH1A1KMT2AKDM4E
SCHEMBL14906935 0.81 KDM1A (0.68) GCGRMAPTKMT2AKDM4ENPC1
SCHEMBL14907002 0.80 KDM4E (0.50) GCGRMAPTALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
WO-2013063243-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS NEW YORK UNIVERSITY (US) 2013-05-02 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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS ALDOA, DERA, TALDO1 GCGR 2311/4885MAPT 578/4885ALDH1A1 204/4885

“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.