SCHEMBL6405947

SCHEMBL6405947

COc1ccccc1-n1c(SCCCCc2ccccc2)nnc1-c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
HTT P42858 1/20 0.53
TSHR P16473 2/20 0.52
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
HRH2 P25021 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47

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
SCHEMBL6408452 0.91 TSHR (0.62) DRD2DRD3TSHRGAAHTR1A
SCHEMBL6408474 0.89 TSHR (0.55) DRD2DRD3TSHRALDH1A1GAA
SCHEMBL6405379 0.88 TSHR (0.63) DRD2DRD3TSHRGAAHTR1A
SCHEMBL6411005 0.86 TSHR (0.54) DRD2DRD3TSHRHTR1AADRA2A
SCHEMBL6409759 0.86 TSHR (0.56) DRD2DRD3TSHRALDH1A1GAA
SCHEMBL6403466 0.86 DRD2 (0.51) DRD2DRD3TSHRALDH1A1MEN1
SCHEMBL6402376 0.84 TSHR (0.50) DRD2DRD3TSHRALDH1A1HTR1A
SCHEMBL6403506 0.82 L3MBTL1 (0.60) DRD2DRD3TSHRALDH1A1GAA
SCHEMBL6403375 0.82 TSHR (0.47) DRD2DRD3TSHRGAASMN1; SMN2
SCHEMBL6407795 0.82 TSHR (0.48) DRD2DRD3TSHRALDH1A1HTR1A

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 DRD2 3842/4885DRD3 2876/4885HTT 2113/4885

“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.