SCHEMBL4163985

SCHEMBL4163985

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NCC4CCNCC4)cc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
PARP1 P09874 3/20 0.37
SLC6A4 P31645 1/20 0.35
PARG Q86W56 2/20 0.35
KMT2A Q03164 2/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
PTGDR Q13258 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 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
SCHEMBL4161968 0.95 KDM4E (0.38) HTR2CHTR2BALDH1A1KDM4EGRIN2D
SCHEMBL4168574 0.88 PARG (0.46) ALDH1A1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL3245352 0.86 HTR2C (0.42) HTR2CHTR2BALDH1A1KDM4EGRIN2D
SCHEMBL4153573 0.84 PARG (0.52) ALDH1A1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL4164931 0.83 PARG (0.45) ALDH1A1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL4165046 0.82 PARG (0.44) ALDH1A1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL4160657 0.82 HTR7 (0.47) ALDH1A1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL4153172 0.82 TDP1 (0.50) ALDH1A1PARGKMT2AMEN1CYP2C9
SCHEMBL4157648 0.82 TDP1 (0.50) ALDH1A1PARGKMT2AMEN1CYP2C9
SCHEMBL4163004 0.82 PARG (0.43) ALDH1A1KDM4EGRIN2DGRIN3BGRIN1

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 HTR2C 3682/4885HTR2B 4297/4885ALDH1A1 3830/4885

“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.