SCHEMBL6404745

SCHEMBL6404745

N#CCSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.68
TP53 P04637 2/20 0.60
MDM2 Q00987 1/20 0.60
TSHR P16473 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
THRB P10828 1/20 0.56
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 3/20 0.50
RXFP1 Q9HBX9 1/20 0.50
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 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
SCHEMBL6406205 0.84 MEN1 (0.71) MAPK1TP53TSHRNPSR1ALDH1A1
SCHEMBL6405016 0.81 MAPK1 (1.00) MAPK1TP53TSHRNPSR1ALDH1A1
SCHEMBL5331381 0.81 TP53 (0.74) TP53MDM2THRBALDH1A1MEN1
SCHEMBL6410613 0.80 KMT2A (0.76) MAPK1TSHRNPSR1ALDH1A1MEN1
SCHEMBL6407431 0.80 ALDH1A1 (0.69) MAPK1TSHRALDH1A1MEN1KMT2A
SCHEMBL6405023 0.79 LMNA (0.65) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL6246142 0.78 ALDH1A1 (0.71) TP53MDM2TSHRTHRBALDH1A1
SCHEMBL6246139 0.78 TP53 (0.57) TP53MDM2TSHRNPSR1THRB
SCHEMBL9466788 0.77 AVPR1A (0.59) TP53MDM2TSHRTHRBALDH1A1
SCHEMBL6404149 0.76 ALDH1A1 (0.64) MAPK1TSHRNPSR1ALDH1A1MEN1

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 MAPK1 4613/4885TP53 1524/4885MDM2 1609/4885

“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.