SCHEMBL6403440

SCHEMBL6403440

CC(C)Cc1nnc(SCc2ccccc2)n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 12/20 0.63
OPRK1 P41145 4/20 0.55
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
SIRT2 Q8IXJ6 2/20 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
SCHEMBL28480818 0.89 PDE6D (0.71) PDE6DTSHRHTTALDH1A1SIRT2
SCHEMBL6406141 0.86 OPRK1 (0.59) PDE6DOPRK1TP53POLBALOX15
SCHEMBL6411912 0.82 OPRK1 (0.64) PDE6DOPRK1TP53POLBALOX15
SCHEMBL28482876 0.82 PDE6D (0.78) PDE6D
SCHEMBL6408179 0.81 OPRK1 (0.53) PDE6DOPRK1TP53POLBALOX15
SCHEMBL28489551 0.77 PDE6D (0.70) PDE6DTSHRALDH1A1
SCHEMBL28478740 0.77 PDE6D (1.00) PDE6D
SCHEMBL24308992 0.77 PDE6D (0.55) PDE6DPOLBALDH1A1
SCHEMBL28477079 0.77 PDE6D (0.64) PDE6D
SCHEMBL4206615 0.76 HTT (0.66) OPRK1TP53POLBALOX15TSHR

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 PDE6D 3331/4885OPRK1 4243/4885TP53 1524/4885

“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.