SCHEMBL6407145

SCHEMBL6407145

CN(C)CCCSc1nnc(-c2ccc([N+](=O)[O-])cc2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPT P10636 7/20 0.39
TYMP P19971 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
MMP8 P22894 3/20 0.37
HTT P42858 3/20 0.37
MMP13 P45452 2/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6405244 0.86 LMNA (0.45) LMNAALDH1A1MAPTTYMPKDM4E
SCHEMBL6405125 0.75 TYMP (0.60) LMNAALDH1A1MAPTTYMPMMP2
SCHEMBL14419374 0.73 ALDH1A1 (0.60) LMNAALDH1A1MAPTHTTNPC1
SCHEMBL6412174 0.73 ALDH1A1 (0.45) LMNAALDH1A1MAPTHTTNPC1
SCHEMBL6407079 0.73 L3MBTL1 (0.47) LMNAALDH1A1MAPTKDM4EMMP2
SCHEMBL6408987 0.72 MAPT (0.42) LMNAALDH1A1MAPTTYMPMMP2
SCHEMBL6405139 0.71 MAPT (0.51) LMNAALDH1A1MAPTTYMPKDM4E
SCHEMBL17673753 0.70 MMP2 (0.52) LMNAALDH1A1MAPTTYMPMMP2
SCHEMBL6408914 0.69 ALDH1A1 (0.46) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL2560579 0.69 MAPT (0.44) LMNAALDH1A1MAPTHTTRAB9A

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 LMNA 4116/4885ALDH1A1 720/4885MAPT 2111/4885

“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.