SCHEMBL4153172

SCHEMBL4153172

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NC4CCCCCC4)cc3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
PARG Q86W56 1/20 0.47
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
BRAF P15056 1/20 0.41
ALDH1A1 P00352 5/20 0.41
POLB P06746 3/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 4/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL4157648 1.00 TDP1 (0.50) TDP1PARGKMT2AHPGDTSHR
SCHEMBL4153573 0.95 PARG (0.52) TDP1PARGKMT2AHPGDTSHR
SCHEMBL4168574 0.92 PARG (0.46) TDP1PARGKMT2AHPGDTSHR
SCHEMBL4162615 0.91 TDP1 (0.52) TDP1PARGKMT2AHPGDTSHR
SCHEMBL4161246 0.90 PARG (0.50) TDP1PARGKMT2AHPGDTSHR
SCHEMBL4166849 0.90 TDP1 (0.50) TDP1PARGKMT2AHPGDTSHR
SCHEMBL4163333 0.89 PARG (0.43) TDP1PARGKMT2AHPGDTSHR
SCHEMBL4164931 0.87 PARG (0.45) TDP1PARGKMT2AHPGDTSHR
SCHEMBL4160987 0.86 EGLN2 (0.40) TDP1PARGHPGDALDH1A1CYP2C19
SCHEMBL4165046 0.86 PARG (0.44) TDP1PARGKMT2AHPGDTSHR

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 4 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 claimed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US claimed
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 TDP1 1098/4885PARG 3507/4885KMT2A 1882/4885

“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.