SCHEMBL4155435

SCHEMBL4155435

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(CCc4ccccc4)cc3c12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.52
FFAR1 O14842 3/20 0.43
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
GPR17 Q13304 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLA2G4A P47712 7/20 0.42
DAO P14920 1/20 0.40
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
KEAP1 Q14145 1/20 0.39

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
SCHEMBL4153837 0.85 GPR17 (0.45) PPARGFFAR1GPR17HPGDCYP2C19
SCHEMBL4162419 0.85 HPGD (0.39) PPARGFFAR1GABRA1GABRB2GPR17
SCHEMBL4171570 0.85 KDM4E (0.47) GPR17HPGDCYP2C19
SCHEMBL4153184 0.84 DAO (0.41) PPARGFFAR1GPR17HPGDCYP2C19
SCHEMBL4159922 0.83 HPGD (0.41) GPR17HPGDCYP2C19
SCHEMBL4162519 0.83 DAO (0.42) PPARGGPR17HPGDCYP2C19DAO
SCHEMBL4169910 0.83 HPGD (0.44) PPARGGPR17HPGDCYP2C19
SCHEMBL3254058 0.83 GABRA1 (0.48) PPARGGABRA1GABRB2HPGDDAO
SCHEMBL4155432 0.83 CYP2C19 (0.44) PPARGFFAR1GPR17HPGDCYP2C19
SCHEMBL4160621 0.83 MPO (0.49) GPR17HPGDCYP2C19

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 PPARG 1568/4885FFAR1 3984/4885GABRA1 3395/4885

“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.