SCHEMBL6402385

SCHEMBL6402385

COc1ccccc1-n1c(SCc2cccc(Cl)c2)nnc1-c1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
TSHR P16473 4/20 0.57
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
METAP2 P50579 1/20 0.47
TP53 P04637 1/20 0.44
PIK3CB P42338 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6407794 0.89 ALDH1A1 (0.59) ALDH1A1TSHRMEN1POLBHPGD
SCHEMBL6408648 0.89 ALDH1A1 (0.63) ALDH1A1TSHRMEN1POLBHPGD
SCHEMBL6404349 0.83 TSHR (0.67) ALDH1A1TSHRMEN1POLBHPGD
SCHEMBL6406036 0.83 ALDH1A1 (0.59) ALDH1A1TSHRMEN1POLBHPGD
SCHEMBL28376426 0.83 METAP2 (0.48) ALDH1A1TSHRNPSR1METAP2PIK3CB
SCHEMBL6405138 0.79 TSHR (0.63) ALDH1A1TSHRMEN1POLBHPGD
SCHEMBL6405347 0.77 GAA (0.53) ALDH1A1TSHRMEN1KMT2ANPSR1
SCHEMBL6406629 0.75 TSHR (0.55) ALDH1A1TSHRHPGDNPSR1METAP2
SCHEMBL28373078 0.74 METAP2 (0.60) ALDH1A1TSHRPOLBNPSR1METAP2
SCHEMBL28376424 0.74 METAP2 (0.51) ALDH1A1TSHRNPSR1METAP2PIK3CB

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 3470/4885MEN1 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.