SCHEMBL6432060

SCHEMBL6432060

O=C(O)CSc1nnc(C(F)(F)F)n1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
GAA P10253 2/20 0.60
POLB P06746 2/20 0.60
HSD17B10 Q99714 3/20 0.59
ALOX15 P16050 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL4736083 0.81 CYP1A2 (0.48) ALDH1A1GAAPOLBHSD17B10ALOX15
SCHEMBL28693087 0.80 ALDH1A1 (0.66) ALDH1A1GAAPOLBHSD17B10ALOX15
SCHEMBL10227726 0.80 SLC22A12 (0.49) ALDH1A1GAAPOLBHSD17B10ALOX15
SCHEMBL4736102 0.77 CYP1A2 (0.47) ALDH1A1GAAPOLBHSD17B10ALOX15
SCHEMBL10227725 0.76 SLC22A12 (0.73) ALDH1A1HSD17B10ALOX15HTT
SCHEMBL4735805 0.75 ALDH1A1 (0.54) ALDH1A1GAAHSD17B10ALOX15HTT
SCHEMBL7821745 0.74 GAA (1.00) ALDH1A1GAAPOLBHSD17B10ALOX15
SCHEMBL4736052 0.74 SLC22A12 (0.45) ALDH1A1GAAHSD17B10ALOX15HTT
SCHEMBL5331381 0.73 TP53 (0.74) ALDH1A1HSD17B10HTTSMN1; SMN2HPGD
SCHEMBL5338687 0.73 MAPT (0.76) ALDH1A1HTTSMN1; SMN2HPGDLMNA

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 ALDH1A1 720/4885GAA 85/4885POLB 854/4885

“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.