SCHEMBL14906949

SCHEMBL14906949

COc1cc(C)cc(/C=N/NC(=O)c2ccc(O)c(O)c2O)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
LMNA P02545 5/20 0.51
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PIK3CG P48736 5/20 0.47
NTRK1 P04629 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
MYC P01106 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL14907012 0.86 LMNA (0.52) MAPTLMNAKDM4EKMT2AMEN1
SCHEMBL14907008 0.83 GCGR (0.55) MAPTLMNAKDM4EKMT2AMEN1
SCHEMBL16080067 0.83 GCGR (0.64) MAPTLMNAKDM4EKMT2AMEN1
SCHEMBL14907017 0.83 LMNA (0.56) MAPTLMNAKDM4EKMT2AMEN1
SCHEMBL16080076 0.82 LMNA (0.57) MAPTLMNAKDM4EKMT2AMEN1
SCHEMBL14906909 0.81 LMNA (0.60) MAPTLMNAKDM4EKMT2AMEN1
SCHEMBL16079418 0.81 MAPT (0.55) MAPTLMNAKDM4EKMT2AMEN1
SCHEMBL14906950 0.80 PIK3CG (0.58) MAPTLMNAKDM4EKMT2AMEN1
SCHEMBL14907116 0.79 KDM4E (0.60) MAPTLMNAKDM4EKMT2AMEN1
SCHEMBL13952108 0.78 KDM4E (0.67) MAPTLMNAKDM4EKMT2AMEN1

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 MAPT 578/4885LMNA 1944/4885KDM4E 283/4885

“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.