SCHEMBL14906911

SCHEMBL14906911

COc1cc(C(=O)N/N=C/c2c(O)cc(Cl)cc2Cl)cc(O)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.54
KDM4E B2RXH2 4/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 2/20 0.48
PSMD14 O00487 1/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
SPHK2 Q9NRA0 2/20 0.46
SPHK1 Q9NYA1 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
PIK3CG P48736 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL14907120 0.96 GCGR (0.55) GCGRKDM4EGAAALDH1A1PSMD14
SCHEMBL14907002 0.89 KDM4E (0.50) GCGRKDM4EGAAALDH1A1SPHK2
SCHEMBL14906905 0.87 GCGR (0.54) GCGRKDM4EALDH1A1PSMD14DUSP3
SCHEMBL14907028 0.87 GCGR (0.61) GCGRMEN1KMT2APOLB
SCHEMBL14906938 0.86 GCGR (0.62) GCGRKDM4EGAAALDH1A1PSMD14
SCHEMBL14907035 0.84 GCGR (0.58) GCGRKDM4EGAAALDH1A1PSMD14
SCHEMBL14906908 0.83 GCGR (0.64) GCGRPSMD14DUSP3PTPN5PTPN11
SCHEMBL14906937 0.82 GCGR (0.50) GCGRKDM4EGAAALDH1A1SPHK2
SCHEMBL14907029 0.81 KDM4E (0.63) GCGRKDM4EGAAALDH1A1PSMD14
SCHEMBL12388101 0.81 KDM4E (0.70) GCGRKDM4EGAAALDH1A1PSMD14

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 2311/4885KDM4E 283/4885GAA 224/4885

“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.