SCHEMBL4157718

SCHEMBL4157718

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3c12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.56
HTR6 P50406 7/20 0.47
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR1F P30939 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46
ADRB3 P13945 1/20 0.44
PGR P06401 4/20 0.42
EGLN1 Q9GZT9 1/20 0.40
PKM P14618 1/20 0.40
GPR17 Q13304 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL4162699 0.93 BRD4 (0.47) BRD4HTR6HTR1AHTR1DHTR1B
SCHEMBL4158099 0.91 BRD4 (0.54) BRD4HTR6ADRB3
SCHEMBL4169893 0.90 BRD4 (0.53) BRD4HTR6GPR17MAPT
SCHEMBL4160914 0.90 PTGDR2 (0.45) BRD4HTR6ADRB3PGRMAPT
SCHEMBL4162500 0.90 PTGDR2 (0.45) BRD4HTR6MAPT
SCHEMBL4160229 0.89 BRD4 (0.46) BRD4HTR6PKMGPR17MAPT
SCHEMBL4157592 0.87 BRD4 (0.47) BRD4ADRB3PGRMAPT
SCHEMBL4157748 0.86 BRD4 (0.57) BRD4HTR6
SCHEMBL4163279 0.86 PKM (0.48) BRD4HTR6PKMMAPT
SCHEMBL4155342 0.85 SIRT2 (0.41) BRD4HTR6PKMMAPT

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 BRD4 545/4885HTR6 4018/4885HTR1A 4294/4885

“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.