SCHEMBL4157748

SCHEMBL4157748

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3c12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.57
HTR6 P50406 10/20 0.51
KMT2A Q03164 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
AKR1C3 P42330 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4158099 0.91 BRD4 (0.54) BRD4HTR6PTGDR2
SCHEMBL4163279 0.89 PKM (0.48) BRD4HTR6SMN1; SMN2
SCHEMBL4159951 0.87 BCL2 (0.46) BRD4HTR6ALDH1A1
SCHEMBL4155589 0.87 ALDH1A1 (0.50) BRD4HTR6KMT2APTGDR2ALDH1A1
SCHEMBL4155597 0.87 HTR6 (0.45) BRD4HTR6PTGDR2
SCHEMBL4169893 0.87 BRD4 (0.53) BRD4HTR6PTGDR2
SCHEMBL4160914 0.86 PTGDR2 (0.45) BRD4HTR6KMT2APTGDR2LMNA
SCHEMBL4164244 0.86 BRD4 (0.55) BRD4HTR6KMT2APTGDR2ALDH1A1
SCHEMBL4162500 0.86 PTGDR2 (0.45) BRD4HTR6PTGDR2ALDH1A1LMNA
SCHEMBL4157718 0.86 BRD4 (0.56) BRD4HTR6

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 4018/4885KMT2A 1882/4885

“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.