SCHEMBL6742685

SCHEMBL6742685

COc1cc(C=NNC(=N)N)cc(O)c1O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
POLB P06746 5/20 0.56
LMNA P02545 1/20 0.56
MMP9 P14780 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 4/20 0.50
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL6742684 1.00 KMT2A (0.62) KMT2APOLBLMNAMMP9TDP1
SCHEMBL7748692 0.94 KMT2A (0.69) KMT2APOLBLMNAMMP9TDP1
SCHEMBL7748698 0.94 KMT2A (0.69) KMT2APOLBLMNAMMP9TDP1
SCHEMBL19449621 0.88 KMT2A (0.57) KMT2APOLBLMNAMMP9TDP1
Hydrochloric Acid SCHEMBL17560782 0.87 KMT2A (0.56) KMT2APOLBLMNAMMP9TDP1
SCHEMBL24278353 0.86 GAA (0.43) KMT2APOLBGAAMEN1KDM4E
SCHEMBL7743096 0.85 HPGD (0.68) KMT2APOLBLMNAMMP9MAPT
SCHEMBL7743100 0.85 HPGD (0.68) KMT2APOLBLMNAMMP9MAPT
SCHEMBL12766462 0.84 MMP9 (0.75) KMT2APOLBLMNAMMP9MAPT
SCHEMBL7747080 0.84 SMN1; SMN2 (0.64) KMT2APOLBLMNAMMP9TDP1

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 KMT2A 2497/4885POLB 1424/4885LMNA 448/4885

“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.