SCHEMBL338498

SCHEMBL338498

Cc1cc(=O)c(OCc2ccccc2)c(C(=O)NC2CCC2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
MAOB P27338 1/20 0.49
SGMS2 Q8NHU3 1/20 0.49
BRD4 O60885 2/20 0.47
CNR2 P34972 4/20 0.46
CNR1 P21554 3/20 0.46
IDH1 O75874 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MMP3 P08254 2/20 0.42
MMP12 P39900 2/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 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
SCHEMBL339672 0.98 KMT2A (0.53) MEN1ALDH1A1KMT2AMAOBSGMS2
SCHEMBL339133 0.97 SGMS2 (0.54) MEN1ALDH1A1KMT2AMAOBSGMS2
SCHEMBL339006 0.96 BRD4 (0.47) MEN1ALDH1A1KMT2AMAOBSGMS2
SCHEMBL337855 0.83 IDH1 (0.49) MEN1ALDH1A1KMT2AMAOBBRD4
SCHEMBL13395924 0.81 BRD4 (0.50) ALDH1A1MAOBBRD4IDH1NPC1
SCHEMBL338697 0.80 IDH1 (0.50) MEN1ALDH1A1KMT2AMAOBIDH1
SCHEMBL338935 0.78 IDH1 (0.48) MEN1ALDH1A1KMT2AIDH1HTT
SCHEMBL338594 0.78 MEN1 (0.49) MEN1ALDH1A1KMT2AMAOBSGMS2
SCHEMBL2984201 0.77 MMP3 (0.72) MEN1ALDH1A1KMT2AMMP3MMP12
SCHEMBL13208646 0.76 MMP3 (0.59) MEN1KMT2AMAOBSGMS2IDH1

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 8 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
US-8097624-B2 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones APOTEX INC. (CA) 2012-01-17 US disclosed
US-20090170850-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones APOTEX INC. 2009-07-02 US disclosed
US-7410985-B2 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones APOTEX INC. (CA) 2008-08-12 US disclosed
EP-1687298-A4 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES APOTEX INC (CA) 2007-10-17 EP disclosed
US-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention APOTEX INC. (CA) 2007-04-12 US disclosed
EP-1687298-A1 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES Apotex Inc. (CA) 2006-08-09 EP 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 (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 MEN1 883/4885ALDH1A1 1709/4885KMT2A 3229/4885
US-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention HAMP, C1S, SLC40A1 MEN1 640/4885ALDH1A1 3337/4885KMT2A 4366/4885

“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.