SCHEMBL6405540

SCHEMBL6405540

Cc1ccccc1OCc1nnc(SCCC(=O)O)n1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.71
RXRB P28702 2/20 0.71
RXRG P48443 2/20 0.71
KDM4E B2RXH2 2/20 0.70
NPC1 O15118 1/20 0.67
ALDH1A1 P00352 4/20 0.67
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
RECQL P46063 1/20 0.64
POLB P06746 1/20 0.60
TDP1 Q9NUW8 1/20 0.56
HPGD P15428 1/20 0.55

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
SCHEMBL6404554 0.89 TDP1 (0.70) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6404082 0.83 RXRA (0.74) RXRARXRBRXRGKDM4ENPC1
SCHEMBL6410816 0.82 RXRA (0.74) RXRARXRBRXRGKDM4ENPC1
SCHEMBL6403407 0.80 PKM (0.74) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL20248141 0.74 SIRT2 (0.73) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL11887417 0.73 KMT2A (0.80) NPC1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10016348 0.73 SMN1; SMN2 (0.80) NPC1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL29558785 0.72 TSHR (0.66) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL23075079 0.71 TDP1 (0.78) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6405241 0.71 L3MBTL1 (0.84) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD

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 RXRA 2854/4885RXRB 2513/4885RXRG 2497/4885

“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.