SCHEMBL6744649

SCHEMBL6744649

N=C(N)N/N=C/c1cccc(O)c1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.71
KDM4E B2RXH2 4/20 0.71
L3MBTL1 Q9Y468 4/20 0.71
LMNA P02545 2/20 0.71
MPI P34949 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
MAPT P10636 1/20 0.71
NOX4 Q9NPH5 1/20 0.66
POLB P06746 4/20 0.55
RAB9A P51151 1/20 0.55
KDM1A O60341 1/20 0.48
NSD2 O96028 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
CTRC Q99895 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47

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
SCHEMBL6744652 1.00 GAA (0.71) GAAKDM4EL3MBTL1LMNAMPI
Hydrochloric Acid SCHEMBL6843997 0.98 GAA (0.69) GAAKDM4EL3MBTL1LMNAMPI
Hydrochloric Acid SCHEMBL6843998 0.98 GAA (0.69) GAAKDM4EL3MBTL1LMNAMPI
SCHEMBL6746441 0.86 KDM4E (0.70) GAAKDM4EL3MBTL1LMNAMPI
SCHEMBL16224301 0.86 NOX4 (0.70) GAAKDM4EL3MBTL1LMNAMPI
SCHEMBL29483210 0.86 KDM4E (0.70) GAAKDM4EL3MBTL1LMNAMPI
SCHEMBL6746442 0.86 KDM4E (0.70) GAAKDM4EL3MBTL1LMNAMPI
Hydrochloric Acid SCHEMBL6746502 0.85 KDM4E (0.68) GAAKDM4EL3MBTL1LMNAMPI
SCHEMBL6740035 0.85 NTRK1 (0.54) GAAKDM4EL3MBTL1LMNAMPI
Hydrochloric Acid SCHEMBL17560991 0.85 NOX4 (0.68) GAAKDM4EL3MBTL1LMNAMPI

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030186993-A1 Anti-malarial compounds, compositions and methods KENNETH S. WARREN INSTITUTE 2003-10-02 US claimed
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO claimed
US-20220015367-A1 SELF-ASSEMBLED ACTIVE AGENTS METHODS PRODUCTS PBC 2022-01-20 US disclosed
US-6689777-B2 DEPOLYMERIZING HEMOZOIN USING 2-IMINO-NAPHTHO(1,2-D)THIAZOL-5-OL DERIVATIVES KENNETH S. WARREN INSTITUTE 2004-02-10 US disclosed
US-20030186993-A1 Anti-malarial compounds, compositions and methods KENNETH S. WARREN INSTITUTE 2003-10-02 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 (2 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-20030186993-A1 Anti-malarial compounds, compositions and methods TYR, CRYZ, RHOT2 GAA 260/4885KDM4E 1240/4885L3MBTL1 1936/4885
US-20220015367-A1 SELF-ASSEMBLED ACTIVE AGENTS PCNA, POLM, MUS81 GAA 729/4885KDM4E 3334/4885L3MBTL1 2809/4885

“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.