SCHEMBL6404597

SCHEMBL6404597

O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 1.00
ALOX15 P16050 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
ALDH1A1 P00352 10/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2D6 P10635 1/20 0.74
CYP2C19 P33261 1/20 0.74
POLB P06746 2/20 0.73
GAA P10253 1/20 0.63
USP2 O75604 1/20 0.63
HPGD P15428 1/20 0.63
TDP1 Q9NUW8 1/20 0.61
KDM4E B2RXH2 1/20 0.60
MAPT P10636 1/20 0.60
RECQL P46063 1/20 0.60
EIF4H Q15056 1/20 0.60

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
SCHEMBL13401419 0.83 POLB (0.77) TSHRALOX15NPSR1MEN1KMT2A
SCHEMBL6410729 0.80 ALDH1A1 (0.81) TSHRALOX15NPSR1MEN1KMT2A
SCHEMBL13856275 0.79 POLB (0.71) TSHRALOX15NPSR1MEN1KMT2A
SCHEMBL5328274 0.78 TP53 (0.75) TSHRALOX15NPSR1MEN1KMT2A
SCHEMBL5328282 0.78 TP53 (0.75) TSHRALOX15NPSR1MEN1KMT2A
SCHEMBL13831407 0.77 POLB (0.68) TSHRALOX15NPSR1MEN1KMT2A
SCHEMBL5331550 0.77 ALDH1A1 (1.00) TSHRALOX15NPSR1MEN1KMT2A
SCHEMBL2421913 0.77 RECQL (0.71) TSHRALOX15NPSR1MEN1KMT2A
SCHEMBL13856878 0.77 NPSR1 (0.74) TSHRALOX15NPSR1MEN1KMT2A
SCHEMBL5327292 0.76 POLB (0.67) TSHRALOX15NPSR1MEN1KMT2A

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 TSHR 3470/4885ALOX15 2151/4885NPSR1 4536/4885

“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.