SCHEMBL6404966

SCHEMBL6404966

c1ccc(CCn2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 5/20 0.63
SSTR3 P32745 5/20 0.63
SMN1; SMN2 Q16637 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 3/20 0.52
GAA P10253 1/20 0.52
ALPG P10696 1/20 0.52
HTT P42858 1/20 0.51
TSHR P16473 2/20 0.50
SSTR2 P30874 1/20 0.49
USP2 O75604 1/20 0.49
SSTR1 P30872 1/20 0.48
MAPK1 P28482 3/20 0.48
HPGD P15428 2/20 0.48
ATM Q13315 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL6405487 0.92 SSTR4 (0.56) SSTR4SSTR3SMN1; SMN2MEN1KMT2A
SCHEMBL4204431 0.84 ALDH1A1 (0.75) SSTR4SSTR3SMN1; SMN2MEN1KMT2A
SCHEMBL6405135 0.83 SSTR4 (0.54) SSTR4SSTR3SMN1; SMN2MEN1KMT2A
SCHEMBL11512244 0.82 SSTR4 (0.60) SSTR4SSTR3SMN1; SMN2MEN1KMT2A
SCHEMBL6408118 0.81 L3MBTL1 (0.67) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL22038632 0.79 SSTR4 (0.66) SSTR4SSTR3SMN1; SMN2ALDH1A1SSTR2
SCHEMBL24173374 0.78 SSTR4 (0.53) SSTR4SSTR3SMN1; SMN2MEN1KMT2A
SCHEMBL4202689 0.78 ALDH1A1 (0.71) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL6402427 0.77 HTT (0.71) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL27099021 0.77 SSTR4 (0.52) SSTR4SSTR3SMN1; SMN2MEN1KMT2A

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 SSTR4 4786/4885SSTR3 4704/4885SMN1; 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.