SCHEMBL6408914

SCHEMBL6408914

CN(C)CCCSc1nnc(-c2cccs2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GFER P55789 1/20 0.37
PREP P48147 1/20 0.37
HPGD P15428 4/20 0.34
GAA P10253 3/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.33
GRK6 P43250 1/20 0.33

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
SCHEMBL6403484 0.80 ADORA3 (0.41) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL6404584 0.77 RAB9A (0.48) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL6405444 0.77 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL16171148 0.74 MEN1 (0.54) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL6406188 0.73 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL6410721 0.73 BCAT1 (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL6403770 0.72 SMN1; SMN2 (0.44) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL6406156 0.72 GRK6 (0.59) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL6408386 0.71 RAB9A (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL6410340 0.71 L3MBTL1 (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDGAA

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 720/4885KDM4E 3676/4885SMN1; SMN2 4793/4885

“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.