SCHEMBL338492

SCHEMBL338492

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
GLRA1 P23415 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL339628 0.90 BRD4 (0.38) ALDH1A1MEN1KMT2AHTTHPGD
SCHEMBL338440 0.90 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2AHTTHPGD
SCHEMBL339469 0.88 RIPK1 (0.44) ALDH1A1MEN1KMT2AGAA
SCHEMBL338637 0.86 KDM1A (0.42) ALDH1A1HPGDSMN1; SMN2GAANPC1
SCHEMBL338508 0.85 SGMS2 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL339010 0.85 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHTTHPGD
SCHEMBL339330 0.84 MEN1 (0.43) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL339206 0.84 RIPK1 (0.46) ALDH1A1KMT2AHPGDSMN1; SMN2LMNA
SCHEMBL338604 0.83 NAAA (0.41) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL1206421 0.82 MEN1 (0.45) ALDH1A1MEN1KMT2AHTTHPGD

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 15 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
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-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
EP-1687298-A4 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES APOTEX INC (CA) 2007-10-17 EP disclosed
EP-1824823-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) 2007-08-29 EP disclosed
US-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention APOTEX INC. (CA) 2007-04-12 US disclosed
CN-1926135-A Cycloalkyl derivatives of 3-hydroxy-4-pyridones APOTEX INC (CA) 2007-03-07 CN disclosed
EP-1687298-A1 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES Apotex Inc. (CA) 2006-08-09 EP disclosed
WO-2006053429-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) 2006-05-26 WO disclosed
WO-2005049609-A1 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES APOTEX INC. (CA) 2005-06-02 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 (3 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 NOTUM 4603/4885ALDH1A1 1709/4885MEN1 883/4885
US-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention HAMP, C1S, SLC40A1 NOTUM 4672/4885ALDH1A1 3337/4885MEN1 640/4885
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 NOTUM 1178/4885ALDH1A1 112/4885MEN1 2696/4885

“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.