SCHEMBL4159318

SCHEMBL4159318

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(-c4csc(CSc5ccccc5)n4)cc3c12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PARP1 P09874 17/20 0.39
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3253319 0.86 HDAC3 (0.49) HDAC3HDAC8HDAC6PARP1LMNA
SCHEMBL4155345 0.85 ALDH1A1 (0.45) MEN1KMT2ALMNA
SCHEMBL4155441 0.83 PARP1 (0.46) PARP1MEN1KMT2A
SCHEMBL4153295 0.83 PARP1 (0.47) PARP1
SCHEMBL4164423 0.82 CSNK2A1 (0.46) PARP1MEN1KMT2A
SCHEMBL3250084 0.82 HDAC3 (0.45) HDAC3HDAC8HDAC6PARP1MEN1
SCHEMBL4160650 0.81 PARP1 (0.39) PARP1MEN1KMT2A
SCHEMBL3254517 0.80 HDAC3 (0.43) HDAC3HDAC8HDAC6PARP1MEN1
SCHEMBL4153837 0.79 GPR17 (0.45) PARP1
Propionic Acid SCHEMBL4159319 0.79 HDAC3 (0.48) HDAC3HDAC8HDAC6PARP1MEN1

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 HDAC3 1242/4885HDAC8 1899/4885HDAC6 704/4885

“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.