SCHEMBL4023213

SCHEMBL4023213

Cc1c(C(=O)N(C)C)cc(C(=O)NCCCN2CCOCC2)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
BACE1 P56817 1/20 0.50
BACE2 Q9Y5Z0 1/20 0.50
POLB P06746 1/20 0.50
TRPV4 Q9HBA0 5/20 0.49
ELANE P08246 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
SLC6A4 P31645 2/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GPR52 Q9Y2T5 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4020499 0.95 ELANE (0.49) BACE1BACE2TRPV4ELANEKMT2A
SCHEMBL4020607 0.92 ELANE (0.51) TRPV4ELANEHTR2AHTR2CSLC6A4
SCHEMBL11895127 0.85 BRD4 (0.42) SMN1; SMN2TRPV4ELANEALDH1A1KDM4E
SCHEMBL5757609 0.85 ELANE (0.56) SMN1; SMN2BACE1BACE2POLBTRPV4
SCHEMBL11895337 0.85 ELANE (0.66) SMN1; SMN2ELANEHTR2AHTR2CSLC6A4
SCHEMBL4029717 0.83 ELANE (0.48) BACE1ELANEHTR2AHTR2CSLC6A4
SCHEMBL5434832 0.82 ALDH1A1 (0.58) SMN1; SMN2POLBHTR2AHTR2CSLC6A4
SCHEMBL11895074 0.81 CNR2 (0.53) SMN1; SMN2POLBELANEALDH1A1MEN1
SCHEMBL561336 0.80 TRPV4 (0.53) TRPV4ELANEHTR2AHTR2CSLC6A4
SCHEMBL31490190 0.80 TRPV4 (0.53) TRPV4ELANEHTR2AHTR2CSLC6A4

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 SMN1; SMN2 606/4885BACE1 3422/4885BACE2 4643/4885
US-20070043036-A1 2-Pyridone derivatives as neutrophil elastase inhibitors and their use SERPINB1, ELANE, SERPINE1 SMN1; SMN2 1247/4885BACE1 805/4885BACE2 1676/4885
US-11559520-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK SMN1; SMN2 606/4885BACE1 3422/4885BACE2 4643/4885
US-20120192861-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK SMN1; SMN2 606/4885BACE1 3422/4885BACE2 4643/4885
US-20170224706-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK SMN1; SMN2 606/4885BACE1 3422/4885BACE2 4643/4885
US-10092552-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK SMN1; SMN2 606/4885BACE1 3422/4885BACE2 4643/4885

“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.