SCHEMBL6746441

SCHEMBL6746441

N=C(N)N/N=C/c1ccccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
GAA P10253 3/20 0.70
L3MBTL1 Q9Y468 3/20 0.70
CTRC Q99895 1/20 0.64
DUSP3 P51452 1/20 0.64
PTPN5 P54829 1/20 0.64
PTPN11 Q06124 1/20 0.64
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
HPGD P15428 2/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
GFER P55789 1/20 0.54
KDM1A O60341 2/20 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
SCHEMBL6746442 1.00 KDM4E (0.70) KDM4EGAAL3MBTL1CTRCDUSP3
SCHEMBL29483210 1.00 KDM4E (0.70) KDM4EGAAL3MBTL1CTRCDUSP3
Hydrochloric Acid SCHEMBL6746502 0.98 KDM4E (0.68) KDM4EGAAL3MBTL1CTRCDUSP3
Acetic Acid SCHEMBL21519392 0.91 CTRC (0.62) KDM4EGAAL3MBTL1CTRCDUSP3
SCHEMBL6744649 0.86 GAA (0.71) KDM4EGAAL3MBTL1CTRCDUSP3
SCHEMBL6744652 0.86 GAA (0.71) KDM4EGAAL3MBTL1CTRCDUSP3
SCHEMBL9457743 0.85 CTRC (0.68) KDM4EGAAL3MBTL1CTRCDUSP3
SCHEMBL16224358 0.85 CTRC (0.68) KDM4EGAAL3MBTL1CTRCDUSP3
Hydrochloric Acid SCHEMBL6843998 0.85 GAA (0.69) KDM4EGAAL3MBTL1CTRCDUSP3
Hydrochloric Acid SCHEMBL6843997 0.85 GAA (0.69) KDM4EGAAL3MBTL1CTRCDUSP3

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-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 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-20190330157-A1 THERAPEUTIC COMPOUNDS OPRL1, INA, OGFR KDM4E 2078/4885GAA 2851/4885L3MBTL1 173/4885
US-20030186993-A1 Anti-malarial compounds, compositions and methods TYR, CRYZ, RHOT2 KDM4E 1240/4885GAA 260/4885L3MBTL1 1936/4885

“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.