SCHEMBL5273545

SCHEMBL5273545

Nc1ccc(-c2c3ccccc3nc3cccc(C(=O)[C@@H]4CCCN4)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.49
PARP1 P09874 5/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
RIPK1 Q13546 1/20 0.35
PARP2 Q9UGN5 1/20 0.34
HDAC1 Q13547 1/20 0.34
DHODH Q02127 4/20 0.33
SCN3A Q9NY46 2/20 0.33
SCN9A Q15858 1/20 0.33
ACHE P22303 1/20 0.33
HTR2C P28335 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6260759 0.73 ELANE (0.43) ELANEPARP1TNKSTNKS2DHODH
SCHEMBL6260768 0.73 ELANE (0.43) ELANEPARP1TNKSTNKS2DHODH
SCHEMBL5273541 0.72 SCN3A (0.53) ELANEHDAC1DHODHSCN3ASCN9A
SCHEMBL27638674 0.71 PARP1 (0.36) PARP1TNKSTNKS2DHODHMEN1
SCHEMBL5273550 0.71 PARP1 (0.36) PARP1TNKSTNKS2DHODHMEN1
SCHEMBL4757958 0.68 ELANE (0.43) ELANEHTR2CMEN1KMT2ACYP1A2
SCHEMBL3274805 0.68 ELANE (0.43) ELANEHTR2CMEN1KMT2ACYP1A2
SCHEMBL27566521 0.67 GAA (0.43) ELANERIPK1MEN1KMT2AMAPT
SCHEMBL27566520 0.67 GAA (0.43) ELANERIPK1MEN1KMT2AMAPT
SCHEMBL29834190 0.67 ESR1 (0.56) PARP1TNKSTNKS2ACHEMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587793-B1 ENZYME SUBSTRATES, CULTURE MEDIA CONTAINING SAME AND USE THEREOF IN ORDER TO DETECT AMINOPEPTIDASE ACTIVITY AND/OR DIFFERENTIATE GRAM-POSITIVE BACTERIA FROM GRAM-NEGATIVE BACTERIA BIOMERIEUX SA (FR) 2007-11-28 EP disclosed
CN-100343234-C Enzyme substrates, culture media containing same and use thereof in order to detect aminopeptidase activity and/or differentiate gram-positive bacteria from gram-negative bacteria BIOMERIEUX SA (FR) 2007-10-17 CN disclosed
US-7223865-B2 Chromogenic compounds, and use thereof as enzyme substrates BIOMERIEUX (FR) 2007-05-29 US disclosed
CN-1745066-A Enzyme substrates, culture media containing same and use thereof in order to detect aminopeptidase activity and/or differentiate gram-positive bacteria from gram-negative bacteria BIOMERIEUX SA (FR) 2006-03-08 CN disclosed
US-20060035306-A1 Enzyme substrates, culture media containing same and use thereof in order to detect aminopeptidase activity and/or differentiate gram-positive bacteria from gram-negative bacteria BIOMERIEUX (FR) 2006-02-16 US disclosed
EP-1587793-A1 ENZYME SUBSTRATES, CULTURE MEDIA CONTAINING SAME AND USE THEREOF IN ORDER TO DETECT AMINOPEPTIDASE ACTIVITY AND/OR DIFFERENTIATE GRAM-POSITIVE BACTERIA FROM GRAM-NEGATIVE BACTERIA BIOMERIEUX (FR) 2005-10-26 EP disclosed
WO-2004069804-A1 ENZYME SUBSTRATES, CULTURE MEDIA CONTAINING SAME AND USE THEREOF IN ORDER TO DETECT AMINOPEPTIDASE ACTIVITY AND/OR DIFFERENTIATE GRAM-POSITIVE BACTERIA FROM GRAM-NEGATIVE BACTERIA BIOMERIEUX (FR) 2004-08-19 WO 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-20060035306-A1 Enzyme substrates, culture media containing same and use thereof in order to detect aminopeptidase activity and/or differentiate gram-positive bacteria from gram-negative bacteria ANPEP, RNPEP, DNPEP ELANE 267/4885PARP1 3796/4885TNKS 4094/4885

“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.