SCHEMBL6403883

SCHEMBL6403883

COc1ccc(-c2nnc(SCCN3CCCCC3)[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
HRH3 Q9Y5N1 3/20 0.44
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
ACHE P22303 3/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LTA4H P09960 1/20 0.40
CHRNA3 P32297 1/20 0.39

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
SCHEMBL6404179 0.88 RAB9A (0.46) POLBALDH1A1LMNAACHE
SCHEMBL6404737 0.82 TNKS (0.46) POLBHRH3ALDH1A1TSHRHTT
SCHEMBL6407548 0.77 CYP2C9 (0.52) ALDH1A1TSHRMAPTHTT
SCHEMBL6429878 0.76 HRH3 (0.42) HRH3ALDH1A1TSHRLMNAHTT
SCHEMBL6409060 0.76 CYP1A2 (0.56) POLBALDH1A1TSHRMAPTMEN1
SCHEMBL17068769 0.74 MAPT (0.41) POLBALDH1A1TSHRMAPTMEN1
SCHEMBL17068802 0.74 ALDH1A1 (0.51) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL6404879 0.72 ALDH1A1 (0.54) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL21763932 0.71 TDP1 (0.46) POLBALDH1A1TSHRMAPTMEN1
SCHEMBL6406188 0.71 ALDH1A1 (0.40) HRH3ALDH1A1TSHRMAPTMEN1

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 POLB 854/4885HRH3 1897/4885ALDH1A1 720/4885

“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.