SCHEMBL6405301

SCHEMBL6405301

CCn1c(SCCSc2nnc(C3CCCCC3)n2CC)nnc1C1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.70
ALDH1A1 P00352 6/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
CYP2C19 P33261 2/20 0.65
POLB P06746 2/20 0.65
TSHR P16473 2/20 0.47
CYP3A4 P08684 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
GFER P55789 1/20 0.44
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL28909971 0.87 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL6409632 0.84 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL4210924 0.76 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL6405333 0.75 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL15983445 0.74 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL19520381 0.74 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL4215408 0.73 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL4197472 0.73 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1CYP2C19POLBTSHR
SCHEMBL4215437 0.73 CYP2C19 (0.90) SMN1; SMN2ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL11510475 0.72 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1MEN1KMT2ACYP2C19

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 4793/4885ALDH1A1 720/4885MEN1 3562/4885

“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.