SCHEMBL6403466

SCHEMBL6403466

COc1ccccc1-n1c(SCCCCc2ccccc2)nnc1-c1cnccn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
DRD3 P35462 4/20 0.51
KCNH2 Q12809 2/20 0.51
TERT O14746 5/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6403375 0.89 TSHR (0.47) DRD2DRD3RAB9AMAPK1MEN1
SCHEMBL6405947 0.86 DRD2 (0.53) DRD2DRD3ALDH1A1MAPK1MEN1
SCHEMBL6408474 0.84 TSHR (0.55) DRD2DRD3ALDH1A1TSHR
SCHEMBL6408452 0.84 TSHR (0.62) DRD2DRD3TSHR
SCHEMBL6402203 0.84 TSHR (0.46) DRD2DRD3MAPK1TSHRL3MBTL1
SCHEMBL6402376 0.83 TSHR (0.50) DRD2DRD3ALDH1A1KMT2ATSHR
SCHEMBL6403506 0.82 L3MBTL1 (0.60) DRD2DRD3ALDH1A1MAPK1TSHR
SCHEMBL6407795 0.81 TSHR (0.48) DRD2DRD3ALDH1A1TSHRL3MBTL1
SCHEMBL6409759 0.81 TSHR (0.56) DRD2DRD3ALDH1A1TSHRL3MBTL1
SCHEMBL6404682 0.81 DRD3 (0.50) DRD2DRD3ALDH1A1MAPK1TSHR

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 2876/4885KCNH2 2873/4885

“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.