SCHEMBL7082835

SCHEMBL7082835

CC(=O)c1cc(Cc2ccccc2)cc(CN2CCCCS2(O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.34
AR P10275 1/20 0.34
MAPT P10636 1/20 0.34
PTPN1 P18031 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN6 P29350 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL7078271 0.96 LMNA (0.44) LMNACYP2D6CYP2C9HIF1AALDH1A1
SCHEMBL7078791 0.78 PLA2G4A (0.39) ALDH1A1
SCHEMBL7085125 0.75 PLA2G4A (0.40)
SCHEMBL7078282 0.71 KMT2A (0.43) ALDH1A1KMT2AL3MBTL1MEN1MAPT
SCHEMBL7667133 0.71 CYP19A1 (0.51) LMNAALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL6480011 0.71 LMNA (0.62) LMNAALDH1A1KMT2AMAPTPTPN1
SCHEMBL12150535 0.71 LMNA (0.62) LMNAALDH1A1KMT2APTPN1TP53
SCHEMBL7078787 0.69 PLA2G4A (0.39) KMT2AMEN1
SCHEMBL7081463 0.69 LMNA (0.49) LMNAKMT2AMAPT
SCHEMBL7077276 0.69 LMNA (0.49) LMNAALDH1A1KMT2AHRH3MAPT

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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof CYP2S1, IMPDH1, IDO1 LMNA 3637/4885CYP2D6 501/4885CYP2C9 592/4885

“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.