SCHEMBL339006

SCHEMBL339006

Cc1cc(=O)c(OCc2ccccc2)c(C(=O)NC2CC2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 1/20 0.46
CNR2 P34972 3/20 0.46
CNR1 P21554 2/20 0.46
SGMS2 Q8NHU3 1/20 0.46
IDH1 O75874 1/20 0.45
MMP3 P08254 2/20 0.43
MMP12 P39900 2/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43

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 0.96 KMT2A (0.53) BRD4ALDH1A1MEN1KMT2AMAOB
SCHEMBL338498 0.96 MEN1 (0.50) BRD4ALDH1A1MEN1KMT2AMAOB
SCHEMBL339133 0.95 SGMS2 (0.54) BRD4ALDH1A1MEN1KMT2AMAOB
SCHEMBL337855 0.85 IDH1 (0.49) BRD4ALDH1A1MEN1KMT2AMAOB
SCHEMBL13395924 0.82 BRD4 (0.50) BRD4ALDH1A1MAOBIDH1MMP3
SCHEMBL338697 0.82 IDH1 (0.50) ALDH1A1MEN1KMT2AMAOBIDH1
SCHEMBL338935 0.80 IDH1 (0.48) ALDH1A1MEN1KMT2AIDH1MMP3
SCHEMBL2984201 0.78 MMP3 (0.72) ALDH1A1MEN1KMT2AMMP3MMP12
SCHEMBL13208646 0.78 MMP3 (0.59) MEN1KMT2AMAOBSGMS2IDH1
SCHEMBL14260034 0.78 MMP3 (0.59) ALDH1A1SGMS2MMP3MMP12MMP1

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
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
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
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
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-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 BRD4 2077/4885ALDH1A1 1709/4885MEN1 883/4885
US-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention HAMP, C1S, SLC40A1 BRD4 1995/4885ALDH1A1 3337/4885MEN1 640/4885

“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.