SCHEMBL4159951

SCHEMBL4159951

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3c12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.46
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
HTR6 P50406 5/20 0.45
BRD4 O60885 5/20 0.44
IDO1 P14902 1/20 0.41
POLB P06746 1/20 0.41
ESR1 P03372 1/20 0.41
ALDH1A1 P00352 1/20 0.39
ITGA1 P56199 1/20 0.38
ATIC P31939 1/20 0.38
HIF1A Q16665 1/20 0.37

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 0.92 BRD4 (0.54) HTR6BRD4
SCHEMBL4155589 0.91 ALDH1A1 (0.50) HTR6BRD4POLBESR1ALDH1A1
SCHEMBL4155597 0.91 HTR6 (0.45) HTR6BRD4POLBESR1
SCHEMBL4169893 0.91 BRD4 (0.53) HTR6BRD4ESR1
SCHEMBL4162383 0.89 MAPT (0.46) HTR6BRD4ALDH1A1ATIC
SCHEMBL4162539 0.89 MEN1 (0.51) HTR6BRD4
SCHEMBL4162564 0.89 MAPT (0.48) HTR6BRD4ALDH1A1HIF1A
SCHEMBL4164244 0.89 BRD4 (0.55) HTR6BRD4ESR1ALDH1A1
SCHEMBL4162654 0.89 BRD4 (0.55) HTR6BRD4POLBALDH1A1HIF1A
SCHEMBL4157748 0.87 BRD4 (0.57) HTR6BRD4ALDH1A1

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 BCL2 1073/4885BCL2L1 1132/4885MCL1 823/4885

“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.