SCHEMBL6406629

SCHEMBL6406629

COc1ccccc1-n1c(SCCc2ccccc2)nnc1-c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
AVPR2 P30518 1/20 0.46
AVPR1A P37288 1/20 0.46
MAPT P10636 1/20 0.46
METAP2 P50579 1/20 0.45
DRD2 P14416 4/20 0.45
DRD3 P35462 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
HRH2 P25021 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
ADRA1A P35348 1/20 0.45

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
SCHEMBL6403476 0.90 TSHR (0.55) TSHRAVPR2AVPR1AMAPTDRD2
SCHEMBL6411991 0.89 TSHR (0.56) TSHRAVPR2AVPR1AMAPTDRD2
SCHEMBL6411005 0.85 TSHR (0.54) TSHRAVPR2AVPR1ADRD2DRD3
SCHEMBL6405379 0.84 TSHR (0.63) TSHRAVPR2AVPR1AMAPTDRD2
SCHEMBL6405347 0.84 GAA (0.53) TSHRMAPTMETAP2NPSR1GAA
SCHEMBL6408452 0.83 TSHR (0.62) TSHRAVPR2AVPR1AMAPTDRD2
SCHEMBL6409503 0.82 MAPT (0.56) TSHRAVPR2AVPR1AMAPTL3MBTL1
SCHEMBL6409499 0.82 MAPT (0.56) TSHRAVPR2AVPR1AMAPTL3MBTL1
SCHEMBL6404363 0.82 ATM (0.46) TSHRMAPTMETAP2DRD2DRD3
1,2,4-Triazole SCHEMBL6408146 0.80 TSHR (0.45) TSHRDRD2DRD3HTR1AADRA2A

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 3470/4885AVPR2 4873/4885AVPR1A 4869/4885

“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.