SCHEMBL4153645

SCHEMBL4153645

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(SC4CCCCC4)cc3c12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
GPR17 Q13304 1/20 0.35
PNP P00491 2/20 0.32
PARP1 P09874 2/20 0.32
KDM4E B2RXH2 1/20 0.32
EGFR P00533 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
APEX1 P27695 1/20 0.30
MAPK10 P53779 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
SCHEMBL3253510 0.83 MAOA (0.39) MAOAMAOBKDM4EALDH1A1MEN1
SCHEMBL4162076 0.81 MEN1 (0.44) HPGDCYP2C19GPR17PARP1KDM4E
Hydrochloric Acid SCHEMBL4164363 0.80 CYP2C19 (0.42) HPGDCYP2C19GPR17PARP1EGFR
SCHEMBL4160987 0.80 EGLN2 (0.40) HPGDCYP2C19FFAR4GPR17PNP
SCHEMBL4153184 0.78 DAO (0.41) HPGDCYP2C19MAOAMAOBGPR17
SCHEMBL4153172 0.78 TDP1 (0.50) HPGDCYP2C19ALDH1A1MEN1KMT2A
SCHEMBL4157648 0.78 TDP1 (0.50) HPGDCYP2C19ALDH1A1MEN1KMT2A
SCHEMBL3250365 0.77 GABRA1 (0.40) HPGDCYP2C19KDM4EALDH1A1MEN1
SCHEMBL4160621 0.77 MPO (0.49) HPGDCYP2C19GPR17KDM4EKMT2A
SCHEMBL4155432 0.77 CYP2C19 (0.44) HPGDCYP2C19GPR17PARP1KDM4E

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 HPGD 882/4885CYP2C19 4277/4885MAOA 2903/4885

“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.