SCHEMBL14906951

SCHEMBL14906951

COc1c(Cl)cc(C)cc1/C=N/NC(=O)c1cc(O)c(O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.49
LMNA P02545 6/20 0.47
MAPT P10636 6/20 0.47
KDM4E B2RXH2 3/20 0.47
ECE2 P0DPD6 1/20 0.46
ECE1 P42892 1/20 0.46
MUS81 Q96NY9 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX12 P18054 1/20 0.43
AR P10275 2/20 0.43
PTGES O14684 1/20 0.42
MEN1 O00255 3/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41

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 0.88 LMNA (0.52) PIK3CGLMNAMAPTKDM4EECE2
SCHEMBL14906953 0.75 KDM4E (0.63) PIK3CGLMNAMAPTKDM4EECE2
SCHEMBL14906949 0.75 MAPT (0.51) PIK3CGLMNAMAPTKDM4ECYP1A2
SCHEMBL14906950 0.75 PIK3CG (0.58) PIK3CGLMNAMAPTKDM4EHTT
SCHEMBL684718 0.74 PIK3CG (0.84) PIK3CGLMNAMAPTKDM4ECYP1A2
SCHEMBL14906947 0.74 GCGR (0.54) LMNAMAPTKDM4EHTTKMT2A
SCHEMBL14907008 0.74 GCGR (0.55) LMNAMAPTKDM4ECYP1A2CYP2C9
SCHEMBL14907027 0.73 PIK3CG (0.62) PIK3CGLMNAMAPTKDM4EECE2
SCHEMBL14907016 0.73 MEN1 (0.53) PIK3CGLMNAMAPTKDM4EHTT
SCHEMBL14907017 0.73 LMNA (0.56) LMNAMAPTKDM4ECYP1A2CYP2C9

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 PIK3CG 3964/4885LMNA 1944/4885MAPT 578/4885

“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.