SCHEMBL339206

SCHEMBL339206

Cc1cc(=O)c(OCc2ccccc2)c(C(=O)NCC2CCCCC2)n1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
NPC1 O15118 2/20 0.41
BRD4 O60885 2/20 0.40
KMT2A Q03164 1/20 0.40
FAAH O00519 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP13 P45452 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
HPGD P15428 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL338508 0.87 SGMS2 (0.51) KMT2AALDH1A1SGMS2
SCHEMBL338440 0.85 SMN1; SMN2 (0.42) NPC1BRD4KMT2ATAOK1TAOK3
SCHEMBL339330 0.84 MEN1 (0.43) NPC1BRD4KMT2ATDP1TAOK1
SCHEMBL338492 0.84 NOTUM (0.42) NPC1KMT2ATDP1ALDH1A1LMNA
SCHEMBL339469 0.83 RIPK1 (0.44) RIPK1BRD4KMT2AALDH1A1SGMS2
SCHEMBL338604 0.82 NAAA (0.41) NPC1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL339628 0.79 BRD4 (0.38) NPC1BRD4KMT2ATDP1ALDH1A1
SCHEMBL338050 0.78 RIPK1 (0.45) RIPK1NPC1KMT2ATDP1MMP13
SCHEMBL338637 0.76 KDM1A (0.42) NPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL339010 0.75 ALDH1A1 (0.49) NPC1KMT2AALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687298-B1 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES APOTEX INC (CA) 2012-12-26 EP disclosed
EP-1824823-B1 PROCESS FOR THE MANUFACTURE OF 3-HYDROXY-N-ALKYL-1-CYCLOALKYL-6-ALKYL-4-OXO-1,4-DIHYDROPYRIDINE-2-CARBOXAMIDE AND ITS RELATED ANALOGUES APOTEX INC (CA) 2012-04-25 EP disclosed
EP-1824823-B1 PROCESS FOR THE MANUFACTURE OF 3-HYDROXY-N-ALKYL-1-CYCLOALKYL-6-ALKYL-4-OXO-1,4-DIHYDROPYRIDINE-2-CARBOXAMIDE AND ITS RELATED ANALOGUES APOTEX INC (CA) 2012-04-25 EP disclosed
US-8097624-B2 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones APOTEX INC. (CA) 2012-01-17 US disclosed
US-7893269-B2 amidation of 3-(benzyloxy)-1-cyclopropyl-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid via the 2-acid chloride and then reaction with an amine; hydrolysis or catalytic hydrogenation to deprotect 3-hydroxy group; high yields for industrial application; the 3-(benzyloxy)-2-carboxamide intermediate APOTEX INC (CA) 2011-02-22 US disclosed
US-7893269-B2 amidation of 3-(benzyloxy)-1-cyclopropyl-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid via the 2-acid chloride and then reaction with an amine; hydrolysis or catalytic hydrogenation to deprotect 3-hydroxy group; high yields for industrial application; the 3-(benzyloxy)-2-carboxamide intermediate APOTEX INC (CA) 2011-02-22 US disclosed
US-7893269-B2 amidation of 3-(benzyloxy)-1-cyclopropyl-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid via the 2-acid chloride and then reaction with an amine; hydrolysis or catalytic hydrogenation to deprotect 3-hydroxy group; high yields for industrial application; the 3-(benzyloxy)-2-carboxamide intermediate APOTEX INC (CA) 2011-02-22 US disclosed
US-20090170850-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones APOTEX INC. 2009-07-02 US disclosed
CN-100448873-C Cycloalkyl derivatives of 3-hydroxy-4-pyridones APOTEX INC (CA) 2009-01-07 CN disclosed
US-7410985-B2 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones APOTEX INC. (CA) 2008-08-12 US disclosed
US-20080096886-A1 Process For The Manufacture Of 3-Hydroxy-N-Alkyl-1-Cycloalkyl-6-Alkyl-4-Oxo-1,4-Dihydropyridine-2-Carboxamide And Its Related Analogues APOTEX INC. (CA) 2008-04-24 US disclosed
US-20080096886-A1 Process For The Manufacture Of 3-Hydroxy-N-Alkyl-1-Cycloalkyl-6-Alkyl-4-Oxo-1,4-Dihydropyridine-2-Carboxamide And Its Related Analogues APOTEX INC. (CA) 2008-04-24 US disclosed
US-20080096886-A1 Process For The Manufacture Of 3-Hydroxy-N-Alkyl-1-Cycloalkyl-6-Alkyl-4-Oxo-1,4-Dihydropyridine-2-Carboxamide And Its Related Analogues APOTEX INC. (CA) 2008-04-24 US disclosed
CN-1926135-A Cycloalkyl derivatives of 3-hydroxy-4-pyridones APOTEX INC (CA) 2007-03-07 CN 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-20090170850-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones HAMP, C1S, C1R RIPK1 4240/4885NPC1 1751/4885BRD4 2077/4885
US-20080096886-A1 Process For The Manufacture Of 3-Hydroxy-N-Alkyl-1-Cycloalkyl-6-Alkyl-4-Oxo-1,4-Dihydropyridine-2-Carboxamide And Its Related Analogues ADH1C, ADH1A, ADH5 RIPK1 3813/4885NPC1 4610/4885BRD4 3241/4885

“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.