SCHEMBL6406874

SCHEMBL6406874

CCn1c(C)nnc1SCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.65
TSHR P16473 5/20 0.64
HTT P42858 3/20 0.64
ALDH1A1 P00352 6/20 0.61
KDM4E B2RXH2 3/20 0.61
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
NPSR1 Q6W5P4 2/20 0.54
HSP90AA1 P07900 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 2/20 0.53
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.50

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
SCHEMBL6403164 0.87 LMNA (0.65) LMNATSHRHTTALDH1A1KDM4E
SCHEMBL6408118 0.84 L3MBTL1 (0.67) LMNATSHRHTTALDH1A1KDM4E
SCHEMBL4204431 0.81 ALDH1A1 (0.75) LMNATSHRHTTALDH1A1KDM4E
SCHEMBL4215752 0.79 HTT (0.67) LMNATSHRHTTALDH1A1KDM4E
SCHEMBL4210981 0.79 KMT2A (0.72) LMNATSHRHTTALDH1A1KDM4E
SCHEMBL4202689 0.79 ALDH1A1 (0.71) LMNATSHRHTTALDH1A1MEN1
SCHEMBL4209449 0.79 TSHR (1.00) LMNATSHRHTTALDH1A1KDM4E
SCHEMBL4200998 0.79 LMNA (0.73) LMNATSHRHTTALDH1A1KDM4E
SCHEMBL6404093 0.78 TSHR (0.74) LMNATSHRHTTALDH1A1MEN1
SCHEMBL6411912 0.77 OPRK1 (0.64) LMNATSHRHTTALDH1A1KDM4E

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 LMNA 4116/4885TSHR 3470/4885HTT 2113/4885

“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.