SCHEMBL3970586

SCHEMBL3970586

CC1=CC(=O)CN(c2ccco2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 3/20 0.35
TP53 P04637 2/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK10 P53779 1/20 0.35
TDP1 Q9NUW8 4/20 0.33
HTT P42858 3/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL27281082 0.74 MAPT (0.43) ADRA1AADRA1BALDH1A1MAPTSMN1; SMN2
SCHEMBL3967446 0.73 MAPT (0.48) ALDH1A1MAPTSMN1; SMN2NPC1MEN1
SCHEMBL3968908 0.69 F2 (0.42) MAPTNPC1MEN1GAARAB9A
SCHEMBL21047779 0.69 KMT2A (0.37) ADRA1AADRA1BALDH1A1MAPTSMN1; SMN2
SCHEMBL21047699 0.68 PRKDC (0.35) ADRA1AADRA1BALDH1A1MAPTSMN1; SMN2
SCHEMBL21047591 0.67 PRKDC (0.40) ADRA1AADRA1BALDH1A1MAPTSMN1; SMN2
SCHEMBL5781689 0.67 KMT2A (0.41) ALDH1A1MAPTSMN1; SMN2NPC1TP53
SCHEMBL3972627 0.66 HTR3A (0.49) ALDH1A1SMN1; SMN2NPC1GAARAB9A
SCHEMBL3969849 0.66 CHRNB2 (0.43) ALDH1A1MAPTGAACYP3A4HTT
SCHEMBL761104 0.65

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866656-B1 USE OF N-SUBSTITUTED PYRIDONES AS TUMOR NECROSIS FACTOR ALPHA INHIBITORS MARGOLIN SOLOMON B (US) 2007-04-25 EP claimed
EP-0813409-B1 TREATMENT OF CYTOKINE GROWTH FACTOR CAUSED DISORDERS MARGOLIN SOLOMON B (US) 2004-05-06 EP claimed
US-5962478-A ADMINISTERING A N-SUBSTITUTED 2(1H)PYRIDONE INTERMUNE, INC. 1999-10-05 US claimed
US-12023342-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof AVALYN PHARMA INC. (US) 2024-07-02 US disclosed
US-20230149375-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF AVALYN PHARMA INC. 2023-05-18 US disclosed
US-11559520-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof AVALYN PHARMA INC. (US) 2023-01-24 US disclosed
US-20220218683-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF AVALYN PHARMA INC. 2022-07-14 US disclosed
US-11224592-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof AVALYN PHARMA INC. (US) 2022-01-18 US disclosed
US-20210346399-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF AVALYN PHARMA INC. (US) 2021-11-11 US disclosed
US-11071741-B2 Aerosol pirfenidone and pyridone analog compound and uses thereof AVALYN PHARMA INC. (US) 2021-07-27 US disclosed
US-20200405704-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF AVALYN PHARMA INC. (US) 2020-12-31 US disclosed
WO-2012106382-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF GENOA PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
US-20120192861-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF GENOA PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 US disclosed
US-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 US disclosed
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-23 US disclosed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 US disclosed
US-20060198823-A1 Compositions and methods for treating viral infections INTERMUNE, INC. 2006-09-07 US disclosed
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 US disclosed
US-5962478-A ADMINISTERING A N-SUBSTITUTED 2(1H)PYRIDONE INTERMUNE, INC. 1999-10-05 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 (14 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-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRA1A 3733/4885ADRA1B 4113/4885ALDH1A1 2109/4885
US-20230149375-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK ADRA1A 126/4885ADRA1B 140/4885ALDH1A1 167/4885
US-11224592-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK ADRA1A 126/4885ADRA1B 140/4885ALDH1A1 167/4885
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRA1A 3733/4885ADRA1B 4113/4885ALDH1A1 2109/4885
US-20060198823-A1 Compositions and methods for treating viral infections IFNAR1, IFNG, TLR3 ADRA1A 385/4885ADRA1B 577/4885ALDH1A1 3230/4885
US-20220218683-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK ADRA1A 126/4885ADRA1B 140/4885ALDH1A1 167/4885
US-20200405704-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK ADRA1A 126/4885ADRA1B 140/4885ALDH1A1 167/4885
US-11559520-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK ADRA1A 126/4885ADRA1B 140/4885ALDH1A1 167/4885
US-20120192861-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK ADRA1A 126/4885ADRA1B 140/4885ALDH1A1 167/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 ADRA1A 3733/4885ADRA1B 4113/4885ALDH1A1 2109/4885
US-20210346399-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK ADRA1A 126/4885ADRA1B 140/4885ALDH1A1 167/4885
US-12023342-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK ADRA1A 126/4885ADRA1B 140/4885ALDH1A1 167/4885
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRA1A 3733/4885ADRA1B 4113/4885ALDH1A1 2109/4885
US-11071741-B2 Aerosol pirfenidone and pyridone analog compound and uses thereof PLPBP, PIR, PDXK ADRA1A 131/4885ADRA1B 139/4885ALDH1A1 181/4885

“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.