SCHEMBL6404140

SCHEMBL6404140

CCn1c(COc2ccc(Br)cc2)nnc1SCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.71
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
SMN1; SMN2 Q16637 6/20 0.62
POLB P06746 3/20 0.62
HTT P42858 2/20 0.62
ADRB2 P07550 1/20 0.62
SIRT2 Q8IXJ6 4/20 0.57
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 2/20 0.51
HSP90AA1 P07900 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL6403245 0.92 TSHR (0.82) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4206437 0.88 SMN1; SMN2 (0.78) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6410268 0.83 CYP1A2 (0.87) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6408782 0.81 LMNA (0.51) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6408137 0.80 SIRT2 (0.69) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6409544 0.80 TSHR (0.66) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16409979 0.77 SIRT2 (0.73) TSHRCYP1A2POLBSIRT2LMNA
SCHEMBL4212138 0.77 TSHR (0.53) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6264446 0.77 TSHR (0.64) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4204431 0.77 ALDH1A1 (0.75) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2

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 3470/4885CYP1A2 93/4885CYP3A4 25/4885

“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.