SCHEMBL4020607

SCHEMBL4020607

Cc1c(C(=O)N(C)C)cc(C(=O)NCCCN2CCCCCC2)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.51
HTR2A P28223 6/20 0.49
HTR2C P28335 4/20 0.49
SLC6A4 P31645 3/20 0.49
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
DRD2 P14416 8/20 0.45
DRD3 P35462 8/20 0.45
HTR1A P08908 3/20 0.45
ADRA1A P35348 1/20 0.45
TRPV4 Q9HBA0 1/20 0.44
GPR52 Q9Y2T5 1/20 0.44
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSK P43235 1/20 0.41

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
SCHEMBL4023213 0.92 SMN1; SMN2 (0.50) ELANEHTR2AHTR2CSLC6A4TRPV4
SCHEMBL11895337 0.88 ELANE (0.66) ELANEHTR2AHTR2CSLC6A4HPGD
SCHEMBL4029717 0.87 ELANE (0.48) ELANEHTR2AHTR2CSLC6A4HPGD
SCHEMBL4020499 0.87 ELANE (0.49) ELANEDRD3TRPV4KMT2A
SCHEMBL560762 0.85 HTR2A (0.57) ELANEHTR2AHTR2CSLC6A4ITGB3
SCHEMBL31490334 0.85 HTR2A (0.57) ELANEHTR2AHTR2CSLC6A4ITGB3
SCHEMBL5757603 0.84 ELANE (0.57) ELANEHTR2AHTR2CSLC6A4ITGB3
SCHEMBL5759229 0.84 ELANE (0.57) ELANEHTR2AHTR2CSLC6A4ITGB3
SCHEMBL4023849 0.82 NOTUM (0.43) ELANE
SCHEMBL11895074 0.82 CNR2 (0.53) ELANEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11559520-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof AVALYN PHARMA INC. (US) 2023-01-24 US disclosed
US-20210069165-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF AVALYN PHARMA INC. (US) 2021-03-11 US disclosed
US-10092552-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof AVALYN PHARMA INC. (US) 2018-10-09 US disclosed
US-20170224706-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF GENOA PHARMACEUTICALS, INC. 2017-08-10 US disclosed
US-20120192861-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF GENOA PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
EP-1663974-B1 2-PYRIDONE DERIVATIVES AS NETROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2009-01-14 EP disclosed
US-20070043036-A1 2-Pyridone derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2007-02-22 US disclosed
EP-1663974-A1 2-PYRIDONE DERIVATIVES AS NETROPHIL ELASTASE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026124-A1 2-PYRIDONE DERIVATIVES AS NETROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2005-03-24 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 (6 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-20210069165-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK ELANE 1574/4885HTR2A 1164/4885HTR2C 2097/4885
US-20070043036-A1 2-Pyridone derivatives as neutrophil elastase inhibitors and their use SERPINB1, ELANE, SERPINE1 ELANE 2/4885HTR2A 2835/4885HTR2C 2842/4885
US-11559520-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK ELANE 1574/4885HTR2A 1164/4885HTR2C 2097/4885
US-20120192861-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK ELANE 1574/4885HTR2A 1164/4885HTR2C 2097/4885
US-20170224706-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK ELANE 1574/4885HTR2A 1164/4885HTR2C 2097/4885
US-10092552-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK ELANE 1574/4885HTR2A 1164/4885HTR2C 2097/4885

“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.