SCHEMBL6404294

SCHEMBL6404294

O=C(CSc1nnc(-c2cccc(O)c2)n1-c1ccccc1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 6/20 0.52
TSHR P16473 4/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
USP2 O75604 1/20 0.52
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
CYP1A2 P05177 2/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 1/20 0.51
MDM2 Q00987 1/20 0.51
ALOX15 P16050 1/20 0.49
PKM P14618 1/20 0.49
THRB P10828 1/20 0.48

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 0.92 MAPK1 (0.57) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL6404213 0.91 MEN1 (0.62) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL6403651 0.90 CYP1A2 (0.61) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL6409643 0.88 TP53 (0.65) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL6403434 0.88 ALDH1A1 (0.63) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL6404543 0.85 MAPT (0.64) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL6405086 0.85 MAPT (0.61) ALDH1A1TSHRHPGDHSD17B10CYP3A4
SCHEMBL6403977 0.84 LMNA (0.56) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL6410539 0.82 ALDH1A1 (0.60) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL14478938 0.82 ALDH1A1 (0.66) MEN1KMT2AALDH1A1TSHRHPGD

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 MEN1 3562/4885KMT2A 2263/4885ALDH1A1 720/4885

“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.