SCHEMBL6405909

SCHEMBL6405909

CCn1c(SCC(=O)Nc2ccccc2C)nnc1C(C)C

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.74
▸ GLA P06280 1/20 0.74
▸ TSHR P16473 2/20 0.66
▸ TP53 P04637 2/20 0.63
▸ RECQL P46063 2/20 0.62
▸ POLB P06746 2/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ MAPT P10636 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ PKM P14618 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
SCHEMBL16491233 0.86 SMN1; SMN2 (1.00) SMN1; SMN2GLATSHRTP53RECQL
SCHEMBL18559039 0.83 TSHR (0.76) SMN1; SMN2GLATSHRTP53RECQL
SCHEMBL15986564 0.81 TSHR (0.84) SMN1; SMN2GLATSHRTP53RECQL
SCHEMBL15986516 0.81 LMNA (0.79) SMN1; SMN2TSHRTP53RECQLPOLB
SCHEMBL18559209 0.79 TSHR (1.00) SMN1; SMN2GLATSHRTP53RECQL
SCHEMBL18559294 0.79 TSHR (0.88) SMN1; SMN2GLATSHRTP53RECQL
SCHEMBL18559194 0.78 TSHR (0.81) SMN1; SMN2GLATSHRTP53RECQL
SCHEMBL18559212 0.76 L3MBTL1 (0.85) SMN1; SMN2GLATSHRTP53RECQL
SCHEMBL14970814 0.76 SMN1; SMN2 (0.71) SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL15983725 0.74 PKM (0.65) SMN1; SMN2TSHRPOLBMAPTLMNA

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 SMN1; SMN2 4793/4885GLA 983/4885TSHR 3470/4885

“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.

Send feedback