SCHEMBL16080076

SCHEMBL16080076

COc1cc(C(=O)N/N=C/c2cc(C)cc(OC)c2OC)cc(O)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
KDM4E B2RXH2 4/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
GCGR P47871 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 3/20 0.48
MITF O75030 1/20 0.48
KLF5 Q13887 1/20 0.48
PTBP1 P26599 1/20 0.47
RECQL P46063 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL14907017 0.96 LMNA (0.56) LMNAKMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL14906909 0.95 LMNA (0.60) LMNAKMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL16080067 0.87 GCGR (0.64) LMNAKMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL16079418 0.87 MAPT (0.55) LMNAKMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL14907008 0.87 GCGR (0.55) LMNAKMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL14907012 0.83 LMNA (0.52) LMNAKMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL14907035 0.82 GCGR (0.58) LMNAKMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL14906949 0.82 MAPT (0.51) LMNAKMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL12387981 0.81 LMNA (0.68) LMNAKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL26034338 0.81 MAPT (0.55) LMNAKMT2AMEN1NPSR1SMN1; SMN2

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-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

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 LMNA 1944/4885KMT2A 929/4885MEN1 1882/4885

“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.