SCHEMBL6402427

SCHEMBL6402427

CCn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.71
HSP90AA1 P07900 4/20 0.71
NPSR1 Q6W5P4 2/20 0.71
ALDH1A1 P00352 5/20 0.69
LMNA P02545 3/20 0.65
TP53 P04637 1/20 0.65
MAPT P10636 1/20 0.65
MAPK1 P28482 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.63
TSHR P16473 3/20 0.60
POLB P06746 1/20 0.57
ADRB2 P07550 1/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL4204431 0.92 ALDH1A1 (0.75) HTTHSP90AA1NPSR1ALDH1A1LMNA
SCHEMBL4202689 0.88 ALDH1A1 (0.71) HTTHSP90AA1NPSR1ALDH1A1LMNA
SCHEMBL4206615 0.86 HTT (0.66) HTTHSP90AA1NPSR1ALDH1A1LMNA
SCHEMBL4211356 0.85 ALDH1A1 (0.67) HTTNPSR1ALDH1A1LMNATP53
SCHEMBL4200762 0.85 TSHR (0.73) HTTHSP90AA1NPSR1ALDH1A1LMNA
SCHEMBL4204163 0.84 SMN1; SMN2 (0.57) HTTHSP90AA1NPSR1ALDH1A1LMNA
SCHEMBL4204115 0.84 ALDH1A1 (0.70) HTTHSP90AA1NPSR1ALDH1A1LMNA
SCHEMBL4203094 0.84 ALDH1A1 (0.65) HTTHSP90AA1NPSR1ALDH1A1LMNA
SCHEMBL4204703 0.84 SMN1; SMN2 (0.61) HTTHSP90AA1NPSR1ALDH1A1LMNA
SCHEMBL4206437 0.83 SMN1; SMN2 (0.78) HTTHSP90AA1NPSR1ALDH1A1LMNA

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 HTT 2113/4885HSP90AA1 2778/4885NPSR1 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.