SCHEMBL3967446

SCHEMBL3967446

CC1=CC(=O)CN(c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
PTGS2 P35354 1/20 0.38
PKM P14618 1/20 0.37
MAPK1 P28482 2/20 0.37
CYP3A4 P08684 2/20 0.37
CHRNA7 P36544 2/20 0.37
ALOX15 P16050 1/20 0.37
CHRNB2 P17787 1/20 0.37
NFKB1 P19838 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3968908 0.85 F2 (0.42) MAPTNPC1RAB9APKMMEN1
SCHEMBL3972627 0.80 HTR3A (0.49) NPC1RAB9APKMCYP3A4ALDH1A1
SCHEMBL3969849 0.80 CHRNB2 (0.43) MAPTCYP3A4CHRNA7CHRNB2CHRNA3
SCHEMBL4283993 0.79 POLB (0.46) MAPTNPC1RAB9APKMMAPK1
SCHEMBL3970214 0.77 NPC1 (0.42) MAPTNPC1RAB9APTGS2MAPK1
SCHEMBL3970586 0.73 ADRA1A (0.35) MAPTNPC1RAB9ACYP3A4HSD17B10
SCHEMBL21777356 0.72 NPC1 (0.50) MAPTNPC1RAB9AMAPK1CYP3A4
SCHEMBL14959574 0.69 NPC1 (0.48) MAPTNPC1RAB9AMAPK1CYP3A4
SCHEMBL5309857 0.69 MAPT (0.47) MAPTNPC1RAB9AMAPK1CYP3A4
SCHEMBL5170266 0.68 MGLL (0.40) MAPTNPC1RAB9AMAPK1CYP3A4

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 50 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-20250268821-A1 NINTEDANIB AND NINTEDANIB COMBINATION DRY POWDER COMPOSITIONS AND USES AVALYN PHARMA INC. 2025-08-28 US disclosed
US-20250177294-A1 NINTEDANIB AND NINTEDANIB COMBINATION DRY POWDER COMPOSITIONS AND USES AVALYN PHARMA INC. 2025-06-05 US disclosed
US-20250114376-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF AVALYN PHARMA INC. 2025-04-10 US disclosed
US-12226407-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof AVALYN PHARMA INC. (US) 2025-02-18 US disclosed
EP-4491180-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF Avalyn Pharma Inc. (US) 2025-01-15 EP disclosed
EP-3091976-B1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF AVALYN PHARMA INC (US) 2024-07-24 EP disclosed
US-12023342-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof AVALYN PHARMA INC. (US) 2024-07-02 US disclosed
CN-117143258-A Sugarcane leaf polysaccharide composition for regulating intestinal flora function and application thereof 中国科学院微生物研究所 2023-12-01 CN 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 (11 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 MAPT 4563/4885NPC1 598/4885RAB9A 3587/4885
US-20250268821-A1 NINTEDANIB AND NINTEDANIB COMBINATION DRY POWDER COMPOSITIONS AND USES INF2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IPO5 MAPT 458/4885NPC1 890/4885RAB9A 2535/4885
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 MAPT 4563/4885NPC1 598/4885RAB9A 3587/4885
US-20060198823-A1 Compositions and methods for treating viral infections IFNAR1, IFNG, TLR3 MAPT 4193/4885NPC1 3879/4885RAB9A 3437/4885
US-20250114376-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK MAPT 1705/4885NPC1 4704/4885RAB9A 3999/4885
US-20120192861-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK MAPT 1705/4885NPC1 4704/4885RAB9A 3999/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 MAPT 4563/4885NPC1 598/4885RAB9A 3587/4885
US-12023342-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK MAPT 1705/4885NPC1 4704/4885RAB9A 3999/4885
US-20250177294-A1 NINTEDANIB AND NINTEDANIB COMBINATION DRY POWDER COMPOSITIONS AND USES INF2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IPO5 MAPT 458/4885NPC1 890/4885RAB9A 2535/4885
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 MAPT 4563/4885NPC1 598/4885RAB9A 3587/4885
US-12226407-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK MAPT 1705/4885NPC1 4704/4885RAB9A 3999/4885

“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.