SCHEMBL4159515

SCHEMBL4159515

CN(CC#Cc1ccc2[nH]c(=O)c3[nH]cc(CCC(=O)O)c3c2c1)CCC#N

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.33
FFAR4 Q5NUL3 4/20 0.33
HPGD P15428 2/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
MET P08581 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
GPR17 Q13304 1/20 0.31
TSPO P30536 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL4155562 0.88 MET (0.39) FFAR1FFAR4HPGDSLC6A4CYP2C19
SCHEMBL3247524 0.86 KDM4E (0.35) HPGDMETKDM4EALDH1A1LMNA
SCHEMBL3242027 0.81 GABRA1 (0.36) HPGDCYP2C19KDM4EALDH1A1LMNA
Propionic Acid SCHEMBL4159519 0.79 MET (0.34) HPGDMETKDM4EALDH1A1LMNA
SCHEMBL4160294 0.79 FFAR1 (0.48) FFAR1FFAR4HPGDCYP2C19GPR17
SCHEMBL4160259 0.79 GABRA1 (0.41) FFAR1FFAR4HPGDCYP2C19GPR17
SCHEMBL4162287 0.78 HPGD (0.38) FFAR1FFAR4HPGDCYP2C19GPR17
SCHEMBL4165404 0.77 HPGD (0.42) FFAR1FFAR4HPGDCYP2C19KDM4E
SCHEMBL4155216 0.76 GSK3B (0.40) HPGDCYP2C19MAPTGPR17
SCHEMBL4162442 0.75 HPGD (0.42) HPGDCYP2C19KDM4EALDH1A1MAPT

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 FFAR1 3984/4885FFAR4 4539/4885HPGD 882/4885

“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.