SCHEMBL6404081

SCHEMBL6404081

Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
TSHR P16473 1/20 0.60
LMNA P02545 4/20 0.57
ALDH1A1 P00352 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
RAB9A P51151 3/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.54
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.50

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
SCHEMBL6404590 0.86 ALDH1A1 (0.77) GAATSHRLMNAALDH1A1NPSR1
SCHEMBL6404862 0.86 GAA (0.63) GAATSHRLMNAALDH1A1NPSR1
SCHEMBL4203989 0.85 SMN1; SMN2 (0.76) GAATSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL14427600 0.84 MAPK1 (0.71) GAALMNAALDH1A1NPSR1KDM4E
SCHEMBL14478973 0.83 MAPK1 (0.72) GAATSHRLMNAALDH1A1NPSR1
SCHEMBL18556534 0.81 RAB9A (0.69) GAATSHRLMNAALDH1A1NPSR1
SCHEMBL18559305 0.81 RAB9A (0.60) GAATSHRLMNAALDH1A1NPSR1
SCHEMBL4211607 0.76 ALDH1A1 (0.76) GAATSHRLMNAALDH1A1NPSR1
SCHEMBL13856842 0.76 TDP1 (0.57) GAALMNAALDH1A1NPSR1KDM4E
SCHEMBL18556533 0.75 TSHR (1.00) GAATSHRLMNAALDH1A1RAB9A

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 GAA 85/4885TSHR 3470/4885LMNA 4116/4885

“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.