SCHEMBL3969849

SCHEMBL3969849

CC1=CC(=O)CN(c2cccnc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.43
CHRNA4 P43681 5/20 0.43
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CHRNA7 P36544 2/20 0.41
ELANE P08246 1/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
AR P10275 1/20 0.40
ALOX12 P18054 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2B Q92831 1/20 0.40

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
SCHEMBL3967446 0.80 MAPT (0.48) CHRNB2CHRNA4ALDH1A1GAAMAPT
SCHEMBL5416033 0.78 CHRNB2 (0.51) CHRNB2CHRNA4CYP11B2HTTCHRNA7
SCHEMBL3968908 0.73 F2 (0.42) GAAMAPTELANE
SCHEMBL5408330 0.70 CHRNB2 (0.55) CHRNB2CHRNA4CYP11B2HTTCHRNA7
SCHEMBL5405408 0.69 CHRNB2 (0.50) CHRNB2CHRNA4CYP11B2HTTCHRNA7
SCHEMBL15553232 0.69 CYP11B2 (0.42) CYP11B2ALDH1A1GAAMAPTRECQL
SCHEMBL3972627 0.69 HTR3A (0.49) ALDH1A1GAACYP3A4
SCHEMBL5729484 0.68 CHRNB2 (0.57) CHRNB2CHRNA4HTTCHRNA7CHRNB4
SCHEMBL7532910 0.68 CHRNB2 (0.56) CHRNB2CHRNA4CYP3A4CYP2A6CHRNA7
SCHEMBL4283993 0.68 POLB (0.46) ALDH1A1GAAMAPTRECQLHSD17B10

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 38 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-20210069165-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF AVALYN PHARMA INC. (US) 2021-03-11 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 CHRNB2 4875/4885CHRNA4 4816/4885CYP11B2 1744/4885
US-20230149375-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK CHRNB2 969/4885CHRNA4 532/4885CYP11B2 1106/4885
US-11224592-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK CHRNB2 969/4885CHRNA4 532/4885CYP11B2 1106/4885
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 CHRNB2 4875/4885CHRNA4 4816/4885CYP11B2 1744/4885
US-20210069165-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK CHRNB2 969/4885CHRNA4 532/4885CYP11B2 1106/4885
US-20060198823-A1 Compositions and methods for treating viral infections IFNAR1, IFNG, TLR3 CHRNB2 1991/4885CHRNA4 1350/4885CYP11B2 2181/4885
US-20220218683-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK CHRNB2 969/4885CHRNA4 532/4885CYP11B2 1106/4885
US-11559520-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK CHRNB2 969/4885CHRNA4 532/4885CYP11B2 1106/4885
US-20120192861-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK CHRNB2 969/4885CHRNA4 532/4885CYP11B2 1106/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 CHRNB2 4875/4885CHRNA4 4816/4885CYP11B2 1744/4885
US-20210346399-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK CHRNB2 969/4885CHRNA4 532/4885CYP11B2 1106/4885
US-12023342-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK CHRNB2 969/4885CHRNA4 532/4885CYP11B2 1106/4885
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 CHRNB2 4875/4885CHRNA4 4816/4885CYP11B2 1744/4885
US-11071741-B2 Aerosol pirfenidone and pyridone analog compound and uses thereof PLPBP, PIR, PDXK CHRNB2 1028/4885CHRNA4 553/4885CYP11B2 1043/4885

“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.