SCHEMBL4684099

SCHEMBL4684099

Cc1c(O)c(=O)ccn1NC(=O)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 2/20 0.45
PTGS2 P35354 2/20 0.45
EGFR P00533 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ALDH1A1 P00352 2/20 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
SCHEMBL4677470 0.84 ALDH1A1 (0.50) TSHRPOLBPTGS2LMNAGAA
SCHEMBL28539380 0.77 MAOB (0.53) TSHRMAPK1NPSR1KMT2AMEN1
SCHEMBL6199944 0.69 ALDH1A1 (0.42) TSHRHDAC1HDAC6TDP1LMNA
SCHEMBL10936307 0.69 TSHR (0.53) TSHRMAPK1NPSR1HDAC1HDAC6
SCHEMBL9339188 0.68 GAA (0.53) TSHRMAPK1NPSR1HDAC1HDAC6
SCHEMBL9339146 0.68 TSHR (0.61) TSHRMAPK1NPSR1HDAC1HDAC6
Nicotinyl Methylamide SCHEMBL30664356 0.67 HDAC1 (0.69) HDAC1HDAC6TDP1LMNAKMT2A
Nicotinyl Methylamide SCHEMBL129458 0.67 HDAC1 (0.69) HDAC1HDAC6TDP1LMNAKMT2A
Nicotinyl Methylamide SCHEMBL28560459 0.67 HDAC1 (0.69) HDAC1HDAC6TDP1LMNAKMT2A
SCHEMBL6246677 0.67 HDAC1 (0.69) HDAC1HDAC6PTGS2TDP1LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015028395-A1 DETERGENT AND CLEANING AGENTS HAVING IMPROVED PERFORMANCE HENKEL AG & CO. KGAA (DE) 2015-03-05 WO disclosed
EP-1474396-B9 N-SUBSTITUTED3-HYDROXY-4-PYRIDINONES AND PHARMACEUTICALS CONTAINING THEREOF BRISTOL MYERS SQUIBB CO (US) 2008-07-09 EP disclosed
EP-1474396-B1 N-SUBSTITUTED3-HYDROXY-4-PYRIDINONES AND PHARMACEUTICALS CONTAINING THEREOF BRISTOL MYERS SQUIBB CO (US) 2007-09-19 EP disclosed
EP-1474396-A4 N-SUBSTITUTED3-HYDROXY-4-PYRIDINONES AND PHARMACEUTICALS CONTAINING THEREOF BRISTOL MYERS SQUIBB CO (US) 2006-01-18 EP disclosed
US-6932960-B2 N-substituted 3-hydroxy-4-pyridinones and pharmaceuticals containing thereof BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-08-23 US disclosed
US-6825204-B2 FOR THERAPY OF DISEASES, SUCH AS PARASITIC AND VIRAL INFECTIONS, CONDITIONS ASSOCIATED WITH INFLAMMATION AND INFECTION, AND CONDITIONS MEDIATED BY CELL-PROLIFERATION OR COLLAGEN FORMATION; CONTRAST AGENTS BRISTOL-MYERS SQUIBB COMPANY 2004-11-30 US disclosed
EP-1474396-A2 N-SUBSTITUTED3-HYDROXY-4-PYRIDINONES AND PHARMACEUTICALS CONTAINING THEREOF Bristol-Myers Squibb Company (US) 2004-11-10 EP disclosed
US-20040176326-A1 N-substituted 3-hydroxy-4-pyridinones and pharmaceuticals containing thereof BRISTOL-MYERS SQUIBB COMPANY 2004-09-09 US disclosed
US-20030170174-A1 N-substituted 3-hydroxy-4-pyridinones and pharmaceuticals containing thereof LANTHEUS MEDICAL IMAGING, INC. 2003-09-11 US disclosed
WO-2003065991-A2 N-SUBSTITUTED3-HYDROXY-4-PYRIDINONES AND PHARMACEUTICALS CONTAINING THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-14 WO 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 (2 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-20040176326-A1 N-substituted 3-hydroxy-4-pyridinones and pharmaceuticals containing thereof COL1A1, CD4, COL2A1 TSHR 2675/4885MAPK1 1901/4885NPSR1 1337/4885
US-20030170174-A1 N-substituted 3-hydroxy-4-pyridinones and pharmaceuticals containing thereof COL1A1, CD4, COL2A1 TSHR 2675/4885MAPK1 1901/4885NPSR1 1337/4885

“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.