SCHEMBL4153024

SCHEMBL4153024

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc([S+]([O-])Cc4ccccc4)cc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
GPR17 Q13304 2/20 0.37
CYP2C19 P33261 1/20 0.37
PPARG P37231 1/20 0.35
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
CDK4 P11802 1/20 0.32
SLC6A2 P23975 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
TYMS P04818 1/20 0.32
KEAP1 Q14145 1/20 0.32
FFAR1 O14842 1/20 0.31

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
SCHEMBL3247241 0.84 CYP1A2 (0.36) HPGDPARP1ALDH1A1KDM4EMEN1
SCHEMBL4155435 0.83 PPARG (0.52) HPGDGPR17CYP2C19PPARGKEAP1
SCHEMBL4162519 0.80 DAO (0.42) HPGDGPR17CYP2C19PPARGPARP1
SCHEMBL4153837 0.79 GPR17 (0.45) HPGDGPR17CYP2C19PPARGPARP1
SCHEMBL4171570 0.79 KDM4E (0.47) HPGDGPR17CYP2C19PARP1ALDH1A1
SCHEMBL3251502 0.79 GABRA1 (0.46) CYP2C19KDM4E
SCHEMBL4153184 0.78 DAO (0.41) HPGDGPR17CYP2C19PPARGPARP1
SCHEMBL4159922 0.78 HPGD (0.41) HPGDGPR17CYP2C19PARP1ALDH1A1
SCHEMBL3255423 0.77 GABRA1 (0.37) HPGDCYP2C19ALDH1A1KDM4EMEN1
SCHEMBL4169910 0.77 HPGD (0.44) HPGDGPR17CYP2C19PPARGPARP1

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 HPGD 882/4885GPR17 2461/4885CYP2C19 4277/4885

“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.