SCHEMBL6404554

SCHEMBL6404554

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

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.70
KMT2A Q03164 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.67
ALDH1A1 P00352 6/20 0.63
MEN1 O00255 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.61
MAPT P10636 2/20 0.60
KDM4E B2RXH2 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
USP2 O75604 1/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL6405540 0.89 RXRA (0.71) TDP1KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL11887417 0.84 KMT2A (0.80) KMT2ASMN1; SMN2ALDH1A1MEN1L3MBTL1
SCHEMBL20248141 0.84 SIRT2 (0.73) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL6403407 0.82 PKM (0.74) TDP1KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6405241 0.82 L3MBTL1 (0.84) KMT2ASMN1; SMN2ALDH1A1MEN1L3MBTL1
SCHEMBL29558785 0.78 TSHR (0.66) TDP1KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL16689209 0.77 KDM4E (0.68) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL31691718 0.76 ALDH1A1 (0.66) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL5717657 0.75 ALDH1A1 (0.76) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL6405387 0.72 SIRT2 (0.72) TDP1KMT2ASMN1; SMN2ALDH1A1MEN1

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 TDP1 288/4885KMT2A 2263/4885SMN1; SMN2 4793/4885

“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.