SCHEMBL6408871

SCHEMBL6408871

COc1ccccc1-n1c(Cc2ccccc2)nnc1SCCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 3/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 2/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
HRH2 P25021 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL6407013 0.90 NPC1 (0.48) APLNRNPC1ALDH1A1NPSR1L3MBTL1
SCHEMBL6403506 0.86 L3MBTL1 (0.60) APLNRNPC1ALDH1A1L3MBTL1GAA
SCHEMBL6408452 0.84 TSHR (0.62) GAATSHRHTR1AADRA2ADRD2
SCHEMBL6402376 0.83 TSHR (0.50) ALDH1A1L3MBTL1TSHRHTR1AADRA2A
SCHEMBL6409779 0.82 L3MBTL1 (0.46) APLNRNPC1ALDH1A1NPSR1L3MBTL1
SCHEMBL6407795 0.82 TSHR (0.48) ALDH1A1L3MBTL1TSHRHTR1AADRA2A
SCHEMBL6409759 0.82 TSHR (0.56) ALDH1A1L3MBTL1GAATSHRHTR1A
SCHEMBL6408474 0.81 TSHR (0.55) ALDH1A1GAATSHRHTR1AADRA2A
SCHEMBL6405379 0.81 TSHR (0.63) GAATSHRHTR1AADRA2ADRD2
SCHEMBL6403375 0.80 TSHR (0.47) APLNRNPC1L3MBTL1GAATSHR

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 APLNR 4836/4885NPC1 2070/4885ALDH1A1 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.