SCHEMBL6403476

SCHEMBL6403476

CCCSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
APLNR P35414 5/20 0.50
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
AVPR2 P30518 1/20 0.46
AVPR1A P37288 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
DRD2 P14416 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
HRH2 P25021 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL6411991 0.91 TSHR (0.56) TSHRNPSR1MAPTAVPR2AVPR1A
SCHEMBL6406629 0.90 TSHR (0.55) TSHRNPSR1MAPTAVPR2AVPR1A
1,2,4-Triazole SCHEMBL6408146 0.85 TSHR (0.45) TSHRAPLNRNPSR1LMNAGAA
SCHEMBL6409499 0.82 MAPT (0.56) TSHRNPSR1MAPTAVPR2AVPR1A
SCHEMBL6409503 0.82 MAPT (0.56) TSHRNPSR1MAPTAVPR2AVPR1A
SCHEMBL6405347 0.81 GAA (0.53) TSHRAPLNRNPSR1MAPTLMNA
SCHEMBL6411005 0.76 TSHR (0.54) TSHRAVPR2AVPR1ADRD2HTR1A
SCHEMBL6405379 0.75 TSHR (0.63) TSHRMAPTAVPR2AVPR1ALMNA
SCHEMBL6408452 0.74 TSHR (0.62) TSHRMAPTAVPR2AVPR1ALMNA
SCHEMBL6405115 0.73 TSHR (0.61) TSHRNPSR1AVPR2AVPR1ADRD2

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 3470/4885APLNR 4836/4885NPSR1 4536/4885

“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.