SCHEMBL6740035

SCHEMBL6740035

N=C(N)NN=Cc1ccc(O)c(O)c1O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.54
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MPI P34949 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL6740032 1.00 NTRK1 (0.54) NTRK1MAPTKDM4ELMNAGAA
SCHEMBL16224328 0.86 NTRK1 (0.56) NTRK1MAPT
SCHEMBL6744652 0.85 GAA (0.71) NTRK1MAPTKDM4ELMNAGAA
SCHEMBL6744649 0.85 GAA (0.71) NTRK1MAPTKDM4ELMNAGAA
Hydrochloric Acid SCHEMBL17560777 0.84 NTRK1 (0.55) NTRK1MAPT
Hydrochloric Acid SCHEMBL6843997 0.83 GAA (0.69) NTRK1MAPTKDM4ELMNAGAA
Hydrochloric Acid SCHEMBL6843998 0.83 GAA (0.69) NTRK1MAPTKDM4ELMNAGAA
SCHEMBL20013929 0.83 GAA (0.73) NTRK1MAPTKDM4ELMNAGAA
SCHEMBL19996098 0.83 GAA (0.73) NTRK1MAPTKDM4ELMNAGAA
SCHEMBL13673535 0.81 NTRK1 (0.52) NTRK1MAPT

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-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
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 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 NTRK1 4882/4885MAPT 309/4885KDM4E 1240/4885

“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.