SCHEMBL339133

SCHEMBL339133

Cc1cc(=O)c(OCc2ccccc2)c(C(=O)NC2CCCCC2)o1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.54
MAOB P27338 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CNR2 P34972 4/20 0.50
CNR1 P21554 3/20 0.50
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
BRD4 O60885 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 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 0.99 KMT2A (0.53) SGMS2MAOBMEN1KMT2AALDH1A1
SCHEMBL338498 0.97 MEN1 (0.50) SGMS2MAOBMEN1KMT2AALDH1A1
SCHEMBL339006 0.95 BRD4 (0.47) SGMS2MAOBMEN1KMT2AALDH1A1
SCHEMBL337855 0.82 IDH1 (0.49) MAOBMEN1KMT2AALDH1A1NPC1
SCHEMBL13395924 0.80 BRD4 (0.50) MAOBALDH1A1NPC1RAB9ABRD4
SCHEMBL338697 0.79 IDH1 (0.50) MAOBMEN1KMT2AALDH1A1HTT
SCHEMBL339140 0.78 SGMS2 (0.53) SGMS2MAOBMEN1KMT2AALDH1A1
SCHEMBL338935 0.77 IDH1 (0.48) MEN1KMT2AALDH1A1HTTNPC1
SCHEMBL338494 0.77 KMT2A (0.52) SGMS2MAOBMEN1KMT2AALDH1A1
SCHEMBL338508 0.77 SGMS2 (0.51) SGMS2MAOBMEN1KMT2AALDH1A1

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 SGMS2 3530/4885MAOB 905/4885MEN1 883/4885
US-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention HAMP, C1S, SLC40A1 SGMS2 3563/4885MAOB 897/4885MEN1 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.