SCHEMBL4155737

SCHEMBL4155737

COC(=O)CCNC(=O)C=Cc1ccc2[nH]c(=O)c3[nH]cc(CCC(=O)O)c3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HDAC3 O15379 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
MAOB P27338 1/20 0.42
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACHE P22303 3/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL3248486 0.87 MEN1 (0.41) MEN1KMT2AHDAC3HDAC6MAOB
SCHEMBL3248489 0.87 MEN1 (0.41) MEN1KMT2AHDAC3HDAC6MAOB
SCHEMBL4162578 0.84 MMP1 (0.46) MEN1KMT2AHDAC3HDAC6KDM4E
SCHEMBL3253944 0.82 SMN1; SMN2 (0.38) MEN1KMT2AHDAC3HDAC6MAOB
SCHEMBL3253941 0.82 SMN1; SMN2 (0.38) MEN1KMT2AHDAC3HDAC6MAOB
SCHEMBL4153013 0.81 TTR (0.42) MEN1KMT2AMAOBPTGS2KDM4E
SCHEMBL3249364 0.81 MEN1 (0.38) MEN1KMT2AHDAC3HDAC6KDM4E
Propionic Acid SCHEMBL4155740 0.80 MEN1 (0.40) MEN1KMT2AHDAC3HDAC6KDM4E
SCHEMBL4165383 0.80 GPR17 (0.40) KDM4EALDH1A1
SCHEMBL4166962 0.74 HPGD (0.42) KDM4EALDH1A1LMNANPSR1

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 MEN1 3749/4885KMT2A 1882/4885HDAC3 1242/4885

“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.