SCHEMBL6403512

SCHEMBL6403512

O=C(CSc1nncn1-c1cccnc1)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.70
MEN1 O00255 3/20 0.70
GAA P10253 1/20 0.69
PKM P14618 1/20 0.67
ALDH1A1 P00352 6/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
TDP1 Q9NUW8 1/20 0.57
CYP1A2 P05177 2/20 0.56
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL1702862 0.80 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1RAB9ATDP1
SCHEMBL6406118 0.74 TDP1 (0.73) KMT2AMEN1GAAPKMALDH1A1
SCHEMBL4215049 0.73 ALDH1A1 (0.64) ALDH1A1RAB9ACYP1A2MAPTSMN1; SMN2
SCHEMBL4207071 0.71 PTGES (0.72) KMT2AMEN1PKMALDH1A1CYP1A2
SCHEMBL4207324 0.69 ALDH1A1 (0.62) KMT2AMEN1PKMALDH1A1RAB9A
SCHEMBL4197175 0.69 KMT2A (0.67) KMT2AMEN1GAAPKMALDH1A1
SCHEMBL1755253 0.69 TP53 (0.65) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL4368613 0.68 ALDH1A1 (0.61) KMT2AMEN1GAAPKMALDH1A1
SCHEMBL15507864 0.67 ALDH1A1 (0.66) KMT2AMEN1GAAPKMALDH1A1
SCHEMBL1702962 0.67 ALDH1A1 (0.66) KMT2AMEN1GAAPKMALDH1A1

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 2263/4885MEN1 3562/4885GAA 85/4885

“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.