SCHEMBL6407059

SCHEMBL6407059

COc1ccccc1-n1c(SCCCC(=O)O)nnc1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.70
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
GAA P10253 2/20 0.56
LMNA P02545 1/20 0.56
HDAC3 O15379 1/20 0.55
PTK2 Q05397 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
DRD2 P14416 3/20 0.54
DRD3 P35462 3/20 0.54
HTR1A P08908 2/20 0.54
ADRA2C P18825 2/20 0.54
HRH2 P25021 2/20 0.54
ADRA1A P35348 2/20 0.54
HRH1 P35367 2/20 0.54

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
SCHEMBL6403209 0.87 TSHR (0.62) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL6405379 0.84 TSHR (0.63) TSHRGAALMNADRD2DRD3
SCHEMBL6408452 0.83 TSHR (0.62) TSHRGAALMNADRD2DRD3
SCHEMBL6405115 0.83 TSHR (0.61) TSHRDRD2DRD3HTR1AADRA2C
SCHEMBL6409759 0.79 TSHR (0.56) TSHRALDH1A1HPGDGAADRD2
SCHEMBL6407998 0.78 TSHR (0.72) TSHRALDH1A1HPGDGAALMNA
SCHEMBL6408474 0.78 TSHR (0.55) TSHRALDH1A1HPGDGAAHDAC3
SCHEMBL6408031 0.77 TSHR (0.65) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL6411005 0.77 TSHR (0.54) TSHRDRD2DRD3HTR1AADRA2C
SCHEMBL15983649 0.76 HTT (0.63) TSHRALDH1A1GAALMNADRD2

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 TSHR 3470/4885ALDH1A1 720/4885HPGD 835/4885

“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.