SCHEMBL6403434

SCHEMBL6403434

COc1cccc(-c2nnc(SCC(=O)OCc3ccccc3)n2-c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
TSHR P16473 5/20 0.63
MAPK1 P28482 1/20 0.61
HPGD P15428 4/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
TP53 P04637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 2/20 0.54
METAP2 P50579 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
USP2 O75604 1/20 0.53
ALPG P10696 1/20 0.53
CDC25A P30304 1/20 0.53
CDC25B P30305 1/20 0.53
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL6403249 0.90 MAPK1 (0.57) ALDH1A1TSHRMAPK1HPGDCYP2D6
SCHEMBL6404294 0.88 MEN1 (0.53) ALDH1A1TSHRMAPK1HPGDCYP2D6
SCHEMBL6404742 0.88 LMNA (0.58) ALDH1A1TSHRMAPK1HPGDCYP2D6
SCHEMBL6404213 0.88 MEN1 (0.62) ALDH1A1TSHRHPGDCYP2D6CYP2C19
SCHEMBL6404073 0.87 ALDH1A1 (0.63) ALDH1A1MAPK1HPGDTP53NPSR1
SCHEMBL6403651 0.86 CYP1A2 (0.61) ALDH1A1TSHRHPGDCYP2D6CYP2C19
SCHEMBL6402175 0.85 ALDH1A1 (0.60) ALDH1A1TSHRHPGDCYP2C19TP53
SCHEMBL6404543 0.84 MAPT (0.64) ALDH1A1TSHRMAPK1HPGDCYP2C19
SCHEMBL6409643 0.83 TP53 (0.65) ALDH1A1TSHRMAPK1HPGDCYP2D6
SCHEMBL3300655 0.82 ALPG (0.53) ALDH1A1TSHRMAPK1HPGDCYP2D6

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 720/4885TSHR 3470/4885MAPK1 4613/4885

“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.