SCHEMBL14907006

SCHEMBL14907006

O=C(N/N=C/c1cc(Cl)cc(Br)c1O)c1ccc(O)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 6/20 0.65
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
KDM4E B2RXH2 5/20 0.61
HTT P42858 3/20 0.61
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
RAB9A P51151 2/20 0.61
PSMD14 O00487 1/20 0.61
POLB P06746 1/20 0.61
MMP2 P08253 1/20 0.61
BLM P54132 1/20 0.61
KDM1A O60341 1/20 0.57
GCGR P47871 2/20 0.56
MAPT P10636 4/20 0.54
NPC1 O15118 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
USP2 O75604 1/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL684819 0.89 SIRT1 (0.81) SIRT1MEN1KMT2AKDM4EHTT
SCHEMBL14906897 0.88 MEN1 (0.70) SIRT1MEN1KMT2AKDM4EHTT
SCHEMBL684776 0.86 SIRT1 (0.70) SIRT1MEN1KMT2AKDM4EHTT
SCHEMBL684847 0.85 KDM1A (0.66) SIRT1MEN1KMT2AKDM4EHTT
SCHEMBL14906894 0.85 MEN1 (0.58) SIRT1MEN1KMT2AKDM4EHTT
SCHEMBL684979 0.85 SIRT1 (0.77) SIRT1MEN1KMT2AKDM4EHTT
SCHEMBL684936 0.85 SIRT1 (0.67) SIRT1MEN1KMT2AKDM4EHTT
SCHEMBL684622 0.84 MEN1 (0.63) SIRT1MEN1KMT2AKDM4EHTT
SCHEMBL684624 0.83 SIRT1 (0.77) SIRT1MEN1KMT2AKDM4EHTT
SCHEMBL14906893 0.83 KDM1A (0.80) SIRT1MEN1KMT2AKDM4EHTT

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 SIRT1 1156/4885MEN1 1882/4885KMT2A 929/4885

“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.