SCHEMBL7078271

SCHEMBL7078271

CC(=O)c1cc(Cc2ccccc2)cc(CN2CCCS2(O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 2/20 0.34
PTPN1 P18031 2/20 0.34
PTPN2 P17706 1/20 0.34
PTPN6 P29350 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL7082835 0.96 LMNA (0.43) LMNATDP1KMT2AALDH1A1L3MBTL1
SCHEMBL7085125 0.78 PLA2G4A (0.40)
SCHEMBL7078791 0.75 PLA2G4A (0.39) ALDH1A1
SCHEMBL7078282 0.74 KMT2A (0.43) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL7667133 0.72 CYP19A1 (0.51) LMNAKMT2AALDH1A1L3MBTL1MAPT
SCHEMBL12150535 0.72 LMNA (0.62) LMNAKMT2AALDH1A1PTPN1PTPN2
SCHEMBL6480011 0.72 LMNA (0.62) LMNAKMT2AALDH1A1MAPTPTPN1
SCHEMBL7077276 0.70 LMNA (0.49) LMNAKMT2AALDH1A1MAPT
SCHEMBL7081463 0.70 LMNA (0.49) LMNAKMT2AMAPTPOLBNPSR1
SCHEMBL7079785 0.68 CYP19A1 (0.56) LMNAKMT2AMEN1

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 3637/4885TDP1 94/4885KMT2A 3589/4885

“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.