SCHEMBL6404136

SCHEMBL6404136

Cc1ccc(-n2c(SCC(=O)O)nnc2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MEN1 O00255 3/20 0.64
HTT P42858 3/20 0.56
MAPT P10636 1/20 0.56
GAA P10253 2/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
ALPG P10696 3/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
CDC25A P30304 3/20 0.53
CDC25B P30305 3/20 0.53
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PKM P14618 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
SCHEMBL6411001 0.89 HTT (0.67) KMT2AMEN1HTTMAPTGAA
SCHEMBL5338687 0.85 MAPT (0.76) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL6408144 0.84 HTT (0.78) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL27809458 0.82 ALDH1A1 (0.63) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL6403869 0.77 KMT2A (0.71) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL6404820 0.76 KMT2A (0.76) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL18292561 0.76 MAPT (0.66) MAPTALPGALDH1A1LMNACDC25A
SCHEMBL29381993 0.76 SMN1; SMN2 (0.65) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL6405083 0.76 L3MBTL1 (0.73) KMT2ASMN1; SMN2HTTMAPTHPGD
SCHEMBL29453959 0.75 ALDH1A1 (0.71) KMT2ASMN1; SMN2MEN1MAPTGAA

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 2263/4885SMN1; SMN2 4793/4885MEN1 3562/4885

“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.