SCHEMBL14907121

SCHEMBL14907121

COc1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc(OC)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.64
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MAPT P10636 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
PSMD14 O00487 2/20 0.54
POLB P06746 2/20 0.54
DUSP3 P51452 1/20 0.53
PTPN5 P54829 1/20 0.53
PTPN11 Q06124 1/20 0.53
PTBP1 P26599 1/20 0.53
RECQL P46063 1/20 0.53
MEN1 O00255 2/20 0.52

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
SCHEMBL14906908 0.95 GCGR (0.64) GCGRSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14907124 0.89 KDM4E (0.61) GCGRSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14907020 0.88 GCGR (0.67) GCGRSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL16077679 0.88 MAPT (0.64) GCGRSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14907029 0.87 KDM4E (0.63) GCGRSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14906898 0.86 GCGR (0.62) GCGRSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14907037 0.85 GCGR (0.60) GCGRSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14906912 0.85 KDM1A (0.65) GCGRSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14907122 0.85 KDM4E (0.57) GCGRSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14907000 0.84 RAB9A (0.64) GCGRSMN1; SMN2NPC1RAB9AMAPT

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 2311/4885SMN1; SMN2 4258/4885NPC1 678/4885

“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.