SCHEMBL6408310

SCHEMBL6408310

O=C(O)c1ccc(CSc2nnc(-c3cccnc3)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
ABL1 P00519 1/20 0.52
RIN1 Q13671 1/20 0.52
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
ALDH1A1 P00352 4/20 0.46
ACMSD Q8TDX5 1/20 0.46
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.44
GSK3B P49841 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
VCP P55072 1/20 0.43
APP P05067 1/20 0.42
HCAR3 P49019 1/20 0.42

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
SCHEMBL6403939 0.81 VCP (0.50) KMT2ALMNAALDH1A1ACMSDGAA
SCHEMBL6407005 0.81 ACMSD (0.45) KMT2ALMNAALDH1A1ACMSDPOLB
SCHEMBL6405361 0.79 ALDH1A1 (0.56) KMT2ALMNAALDH1A1GAAMAPT
SCHEMBL6404560 0.75 HPGD (0.51) KMT2ALMNAALDH1A1ACMSDMAPT
SCHEMBL11085814 0.74 POLB (0.55) KMT2ALMNAABL1RIN1MKNK1
SCHEMBL6411081 0.74 SCN9A (0.47) KMT2ALMNAALDH1A1ACMSDRAB9A
SCHEMBL10060497 0.74 KMT2A (0.66) KMT2ALMNAALDH1A1GAAMAPT
SCHEMBL13831073 0.74 MAPT (0.65) KMT2AALDH1A1MAPTPOLBHPGD
SCHEMBL16907285 0.72 BTK (0.49) KMT2ALMNAALDH1A1MAPTNPC1
SCHEMBL6411295 0.71 MAPK14 (0.41) KMT2ALMNAMKNK1MKNK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT KMT2A 2263/4885LMNA 4116/4885ABL1 1103/4885

“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.