SCHEMBL4170125

SCHEMBL4170125

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N4CCCC4)cc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
GAA P10253 3/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 2/20 0.41
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP2C9 P11712 2/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ALPL P05186 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4174088 0.92 HSD17B10 (0.53) KDM4EGAAHSD17B10MAPTHPGD
SCHEMBL4157677 0.92 GAA (0.53) KDM4EGAAHSD17B10MAPTHPGD
SCHEMBL4162757 0.87 CASP3 (0.37) KDM4EGAAHSD17B10MAPTHPGD
SCHEMBL4155191 0.87 HPGD (0.42) KDM4EMAPTHPGDCYP2C19THRB
SCHEMBL4166331 0.84 KDM4E (0.43) KDM4EHSD17B10MAPTPKMMEN1
SCHEMBL4166329 0.84 KDM4E (0.43) KDM4EHSD17B10MAPTPKMMEN1
SCHEMBL4162915 0.84 PDGFRB (0.46) MAPTHPGDCYP2C19
SCHEMBL4154862 0.83 PKM (0.49) GAAMAPTHTTLMNAALDH1A1
SCHEMBL3247163 0.83 GAA (0.55) KDM4EGAAATMHSD17B10MAPT
SCHEMBL4160299 0.83 MEN1 (0.42) GAARXFP1PKMMEN1POLB

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 KDM4E 1970/4885GAA 3035/4885ATM 247/4885

“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.