SCHEMBL6742898

SCHEMBL6742898

Cc1cc(/C=N\NC(=N)N)c(O)c(/C=N/NC(=N)N)c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
GAA P10253 4/20 0.71
MAPT P10636 4/20 0.71
L3MBTL1 Q9Y468 4/20 0.71
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
USP2 O75604 2/20 0.71
KDM4E B2RXH2 5/20 0.44
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ERN1 O75460 1/20 0.41
SIRT1 Q96EB6 1/20 0.40
MPI P34949 1/20 0.37
ALOX12 P18054 2/20 0.37
HPGD P15428 1/20 0.37
PIK3CG P48736 2/20 0.36

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
SCHEMBL6741895 1.00 ALDH1A1 (0.71) ALDH1A1GAAMAPTL3MBTL1MEN1
SCHEMBL6744695 0.82 MAPT (0.49) ALDH1A1GAAMAPTL3MBTL1MEN1
SCHEMBL22017070 0.82 NPC1 (0.52) ALDH1A1GAAMAPTL3MBTL1MEN1
SCHEMBL6744700 0.82 MAPT (0.49) ALDH1A1GAAMAPTL3MBTL1MEN1
Hydrochloric Acid SCHEMBL6744785 0.81 MAPT (0.48) ALDH1A1GAAMAPTL3MBTL1MEN1
Hydrochloric Acid SCHEMBL6744777 0.81 MAPT (0.48) ALDH1A1GAAMAPTL3MBTL1MEN1
SCHEMBL22017069 0.80 LMNA (0.61) ALDH1A1GAAMAPTL3MBTL1MEN1
SCHEMBL31105648 0.78 HTT (0.46) ALDH1A1GAAMAPTL3MBTL1MEN1
SCHEMBL17395927 0.78 HTT (0.46) ALDH1A1GAAMAPTL3MBTL1MEN1
SCHEMBL17395926 0.78 HTT (0.46) ALDH1A1GAAMAPTL3MBTL1MEN1

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-20030186993-A1 Anti-malarial compounds, compositions and methods KENNETH S. WARREN INSTITUTE 2003-10-02 US claimed
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 (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-20030186993-A1 Anti-malarial compounds, compositions and methods TYR, CRYZ, RHOT2 ALDH1A1 3325/4885GAA 260/4885MAPT 309/4885

“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.