SCHEMBL4026336

SCHEMBL4026336

Cc1c(C(=O)N(C)C)cc(C(=O)NCCC2=CCCCC2)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.47
ALDH1A1 P00352 10/20 0.46
MAPT P10636 7/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL31490339 0.85 ELANE (0.47) ELANEALDH1A1MAPTNPC1RAB9A
SCHEMBL561081 0.85 ELANE (0.47) ELANEALDH1A1MAPTNPC1RAB9A
SCHEMBL5756289 0.85 ELANE (0.58) ELANEALDH1A1MAPTNPC1RAB9A
SCHEMBL11895074 0.84 CNR2 (0.53) ELANEALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4024127 0.83 ESRRG (0.47) ELANEALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5437711 0.82 ALDH1A1 (0.50) ELANEALDH1A1MAPTNPC1RAB9A
SCHEMBL11895081 0.81 ELANE (0.42) ELANEALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4023306 0.81 FLT1 (0.47) ELANEALDH1A1MAPTNPC1RAB9A
SCHEMBL4022341 0.81 ELANE (0.51) ELANEALDH1A1MAPTTP53KMT2A
SCHEMBL4020607 0.80 ELANE (0.51) ELANEHPGDL3MBTL1KMT2AMEN1

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
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

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 1574/4885ALDH1A1 167/4885MAPT 1705/4885
US-20070043036-A1 2-Pyridone derivatives as neutrophil elastase inhibitors and their use SERPINB1, ELANE, SERPINE1 ELANE 2/4885ALDH1A1 1362/4885MAPT 1663/4885
US-11559520-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK ELANE 1574/4885ALDH1A1 167/4885MAPT 1705/4885
US-20120192861-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK ELANE 1574/4885ALDH1A1 167/4885MAPT 1705/4885
US-20170224706-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK ELANE 1574/4885ALDH1A1 167/4885MAPT 1705/4885
US-10092552-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK ELANE 1574/4885ALDH1A1 167/4885MAPT 1705/4885

“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.