SCHEMBL6408915

SCHEMBL6408915

N#CCSc1nnc(C2CCCCC2)n1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
HTT P42858 2/20 0.57
ALOX15 P16050 2/20 0.57
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
NPSR1 Q6W5P4 3/20 0.52
CYP3A4 P08684 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
CYP2C9 P11712 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 3/20 0.52
RAB9A P51151 1/20 0.51
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL5336949 0.74 ALDH1A1 (0.65) ALDH1A1HTTALOX15HSD17B10L3MBTL1
SCHEMBL20547944 0.74 HTT (0.66) ALDH1A1HTTALOX15HSD17B10L3MBTL1
SCHEMBL6409632 0.74 SMN1; SMN2 (0.62) ALDH1A1ALOX15NPSR1CYP3A4MEN1
SCHEMBL6403551 0.73 ALDH1A1 (0.64) ALDH1A1HTTALOX15HSD17B10L3MBTL1
SCHEMBL5334498 0.71 ALDH1A1 (0.45) ALDH1A1HTTALOX15HSD17B10L3MBTL1
SCHEMBL1816886 0.70 AVPR1A (0.49) ALDH1A1HTTALOX15HSD17B10L3MBTL1
SCHEMBL6404745 0.68 MAPK1 (0.68) ALDH1A1HTTHSD17B10NPSR1MEN1
SCHEMBL11511734 0.68 ALDH1A1 (0.57) ALDH1A1HTTALOX15HSD17B10L3MBTL1
SCHEMBL6404149 0.68 ALDH1A1 (0.64) ALDH1A1HTTALOX15HSD17B10NPSR1
SCHEMBL6405016 0.68 MAPK1 (1.00) ALDH1A1HTTHSD17B10NPSR1MEN1

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 720/4885HTT 2113/4885ALOX15 2151/4885

“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.