SCHEMBL7082837

SCHEMBL7082837

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM2 Q14416 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP11B2 P19099 2/20 0.38
CYP11B1 P15538 1/20 0.38
PER2 O15055 3/20 0.37
CRY1 Q16526 3/20 0.37
CRY2 Q49AN0 3/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
BRD4 O60885 1/20 0.35
TP53 P04637 1/20 0.35

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 0.88 LMNA (0.43) LMNAMEN1KMT2ATDP1CYP2D6
SCHEMBL7078271 0.85 LMNA (0.44) LMNAPOLBMEN1KMT2ATDP1
SCHEMBL7078282 0.82 KMT2A (0.43) POLBMEN1KMT2AGRM2CYP11B2
SCHEMBL7082113 0.79 GRM2 (0.35) LMNAGRM2CYP11B2
SCHEMBL5948078 0.78 TDP1 (0.53) POLBMEN1KMT2ATDP1PER2
SCHEMBL7078787 0.77 PLA2G4A (0.39) POLBMEN1KMT2AGRM2CYP11B2
SCHEMBL7077505 0.75 ACKR3 (0.36) LMNAGRM2TP53
SCHEMBL7077747 0.75 ACKR3 (0.36) POLBMEN1KMT2AGRM2BACE1
SCHEMBL14047589 0.73 TDP1 (0.54) POLBMEN1KMT2ATDP1PER2
SCHEMBL6480278 0.71 FEN1 (0.46) LMNAPOLBMEN1KMT2AGRM2

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 3637/4885POLB 24/4885MEN1 4377/4885

“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.