SCHEMBL4166331

SCHEMBL4166331

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N4CCCC4CN4CCCC4)cc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
HTR7 P34969 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CASP3 P42574 10/20 0.38
CASP7 P55210 4/20 0.38
BRD4 O60885 3/20 0.37
BRD2 P25440 3/20 0.37
BRD3 Q15059 3/20 0.37
BRDT Q58F21 3/20 0.37
MAPT P10636 1/20 0.35
CASP9 P55211 3/20 0.35
CASP1 P29466 2/20 0.34
CASP2 P42575 2/20 0.34
CASP4 P49662 2/20 0.34
CASP6 P55212 2/20 0.34
CASP8 Q14790 2/20 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
SCHEMBL4166329 1.00 KDM4E (0.43) KDM4EHSD17B10POLBPKMHTR7
SCHEMBL3249189 0.87 KDM4E (0.46) KDM4EHSD17B10POLBPKMHTR7
SCHEMBL3249186 0.87 KDM4E (0.46) KDM4EHSD17B10POLBPKMHTR7
SCHEMBL4170125 0.84 KDM4E (0.47) KDM4EHSD17B10POLBPKMMEN1
SCHEMBL3253429 0.81 CASP3 (0.42) KDM4EHSD17B10POLBPKMHTR7
SCHEMBL13928187 0.81 CASP3 (0.42) KDM4EHSD17B10POLBPKMHTR7
SCHEMBL3251417 0.81 CASP3 (0.45) KDM4EHSD17B10POLBPKMHTR7
Propionic Acid SCHEMBL4173362 0.80 KDM4E (0.45) KDM4EHSD17B10POLBPKMHTR7
Propionic Acid SCHEMBL4166334 0.80 KDM4E (0.45) KDM4EHSD17B10POLBPKMHTR7
SCHEMBL13950965 0.79 HTR7 (0.42) KDM4EHSD17B10POLBPKMHTR7

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 1970/4885HSD17B10 3847/4885POLB 1007/4885

“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.