SCHEMBL6406560

SCHEMBL6406560

COc1ccc(-n2c(Cc3ccccc3)nnc2SC)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
MAPT P10636 4/20 0.62
TLR8 Q9NR97 1/20 0.62
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
NPSR1 Q6W5P4 2/20 0.57
CYP1A2 P05177 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TP53 P04637 3/20 0.56
CDC25A P30304 2/20 0.55
CDC25B P30305 2/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 3/20 0.55
USP2 O75604 1/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL6266141 0.87 ALDH1A1 (0.63) ALDH1A1MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL6251016 0.74 ALDH1A1 (0.67) ALDH1A1MAPTNPSR1TP53CDC25A
SCHEMBL6408696 0.73 ALDH1A1 (0.59) ALDH1A1MAPTTLR8NPSR1TDP1
SCHEMBL6722135 0.73 ALDH1A1 (0.61) ALDH1A1MAPTNPSR1CDC25ACDC25B
Hydrochloric Acid SCHEMBL11375354 0.73 TLR8 (0.57) ALDH1A1MAPTTLR8CYP3A4CYP2C9
SCHEMBL6266138 0.73 ALDH1A1 (0.63) ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL24094347 0.72 ALDH1A1 (0.64) ALDH1A1MAPTTLR8NPSR1MEN1
SCHEMBL6265130 0.72 PKM (0.56) ALDH1A1MAPTCYP2C9CYP2C19CYP1A2
SCHEMBL6406937 0.71 KMT2A (0.54) ALDH1A1TLR8NPSR1TP53MEN1
SCHEMBL4211356 0.71 ALDH1A1 (0.67) ALDH1A1MAPTCYP3A4CYP2C9CYP2C19

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 720/4885MAPT 2111/4885TLR8 4692/4885

“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.