SCHEMBL6404082

SCHEMBL6404082

Cc1ccc(-n2c(COc3ccccc3)nnc2SCCC(=O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.74
RXRB P28702 2/20 0.74
RXRG P48443 2/20 0.74
NPC1 O15118 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.67
ALDH1A1 P00352 3/20 0.66
LMNA P02545 3/20 0.66
NPSR1 Q6W5P4 3/20 0.66
HTT P42858 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
USP2 O75604 3/20 0.63
HPGD P15428 1/20 0.63
HSD17B10 Q99714 1/20 0.63
PKM P14618 1/20 0.61
VCP P55072 1/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TSHR P16473 2/20 0.60
MAPT P10636 2/20 0.60
CYP1A2 P05177 1/20 0.60

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
SCHEMBL6405241 0.89 L3MBTL1 (0.84) L3MBTL1ALDH1A1LMNANPSR1HTT
SCHEMBL6410816 0.89 RXRA (0.74) RXRARXRBRXRGNPC1ALDH1A1
SCHEMBL6405540 0.83 RXRA (0.71) RXRARXRBRXRGNPC1ALDH1A1
SCHEMBL6412224 0.80 PKM (0.92) L3MBTL1ALDH1A1LMNANPSR1HTT
SCHEMBL11887417 0.80 KMT2A (0.80) NPC1L3MBTL1ALDH1A1LMNANPSR1
SCHEMBL14907781 0.80 LMNA (0.69) RXRARXRBRXRGNPC1L3MBTL1
SCHEMBL6403187 0.78 VCP (0.86) ALDH1A1LMNANPSR1HTTSMN1; SMN2
SCHEMBL6403869 0.77 KMT2A (0.71) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL6403317 0.76 PKM (1.00) L3MBTL1ALDH1A1LMNANPSR1HTT
SCHEMBL6404099 0.73 NPSR1 (0.65) RXRARXRBRXRGNPC1L3MBTL1

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.