SCHEMBL4677470

SCHEMBL4677470

Cc1c(O)c(=O)ccn1NC(=O)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2C9 P11712 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 3/20 0.42
KDM6A O15550 1/20 0.42
KDM4A O75164 1/20 0.42
KDM5C P41229 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
DOHH Q9BU89 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
TP53 P04637 1/20 0.41
PTGS2 P35354 2/20 0.40
MPO P05164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 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
SCHEMBL4684099 0.84 TSHR (0.54) ALDH1A1POLBTSHRLMNAPTGS2
SCHEMBL28911890 0.75 MAOB (0.53) SMN1; SMN2MAOB
SCHEMBL1520258 0.63 TSHR (1.00) ALDH1A1CYP2C19CYP2C9POLBSMN1; SMN2
SCHEMBL6238748 0.63 ALDH1A1 (0.67) ALDH1A1CYP2C19SMN1; SMN2TSHRKDM4E
SCHEMBL16642162 0.63 ALDH1A1 (0.67) ALDH1A1CYP2C19SMN1; SMN2TSHRKDM4E
SCHEMBL112540 0.63 ALDH1A1 (0.67) ALDH1A1CYP2C19SMN1; SMN2TSHRKDM4E
SCHEMBL1423877 0.62 SMN1; SMN2 (0.67) ALDH1A1CYP2C19POLBSMN1; SMN2LMNA
SCHEMBL27862919 0.62 ALDH1A1 (0.59) ALDH1A1CYP2C19TSHRLMNAKDM4E
SCHEMBL2992964 0.62 ALDH1A1 (1.00) ALDH1A1CYP2C19POLBSMN1; SMN2LMNA
SCHEMBL2004792 0.62 ALDH1A1 (0.73) ALDH1A1CYP2C19SMN1; SMN2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1505/4885CYP2C19 200/4885CYP2C9 467/4885
US-20030170174-A1 N-substituted 3-hydroxy-4-pyridinones and pharmaceuticals containing thereof COL1A1, CD4, COL2A1 ALDH1A1 1505/4885CYP2C19 200/4885CYP2C9 467/4885

“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.