SCHEMBL4152989

SCHEMBL4152989

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NC4CC5CCC(C4)N5Cc4ccccc4)cc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.42
PTGDR Q13258 1/20 0.37
ENPP2 Q13822 1/20 0.37
ATXN2 Q99700 1/20 0.37
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TBXA2R P21731 1/20 0.35
BACE1 P56817 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ROCK2 O75116 1/20 0.34
ARHGDIA P52565 1/20 0.34

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
SCHEMBL3252894 0.88 PARG (0.44) PARGKMT2ALMNAMEN1OPRM1
SCHEMBL4153573 0.86 PARG (0.52) PARGPTGDRENPP2ATXN2KMT2A
SCHEMBL4163333 0.84 PARG (0.43) PARGPTGDRENPP2ATXN2KMT2A
SCHEMBL4157648 0.83 TDP1 (0.50) PARGKMT2ALMNAMEN1ALDH1A1
SCHEMBL4153172 0.83 TDP1 (0.50) PARGKMT2ALMNAMEN1ALDH1A1
SCHEMBL4168574 0.82 PARG (0.46) PARGPTGDRENPP2ATXN2KMT2A
Propionic Acid SCHEMBL4152995 0.81 PARG (0.46) PARGPTGDRKMT2ALMNAMEN1
SCHEMBL4717279 0.81 PARG (0.51) PARGKMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4161246 0.81 PARG (0.50) PARGPTGDRENPP2ATXN2KMT2A
SCHEMBL4164931 0.78 PARG (0.45) PARGPTGDRENPP2ATXN2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 PARG 3507/4885PTGDR 861/4885ENPP2 1450/4885

“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.