SCHEMBL338839

SCHEMBL338839

Cc1cc(=O)c(OCc2ccccc2)c(C(=O)NC2CC2)n1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CNR2 P34972 3/20 0.45
CNR1 P21554 2/20 0.45
SGMS2 Q8NHU3 1/20 0.45
BRD4 O60885 4/20 0.44
MMP1 P03956 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
DVL1 O14640 1/20 0.41
DVL3 Q92997 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL338494 0.96 KMT2A (0.52) RIPK1MEN1KMT2AALDH1A1CNR2
SCHEMBL338594 0.96 MEN1 (0.49) RIPK1MEN1KMT2AALDH1A1CNR2
SCHEMBL339140 0.95 SGMS2 (0.53) MEN1KMT2AALDH1A1CNR2CNR1
SCHEMBL339469 0.87 RIPK1 (0.44) RIPK1MEN1KMT2AALDH1A1CNR2
SCHEMBL5165003 0.85 MMP1 (0.46) MEN1KMT2AALDH1A1BRD4MMP1
SCHEMBL338508 0.83 SGMS2 (0.51) MEN1KMT2AALDH1A1CNR2CNR1
SCHEMBL1206421 0.82 MEN1 (0.45) MEN1KMT2AALDH1A1MMP1MMP7
Methylamine SCHEMBL1207581 0.80 MEN1 (0.43) MEN1KMT2AALDH1A1MMP1MMP7
SCHEMBL14539771 0.80 KDM4E (0.44) MEN1KMT2AALDH1A1MMP1MMP7
SCHEMBL1207584 0.79 LMNA (0.44) MEN1KMT2AALDH1A1MMP1MMP7

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 RIPK1 4240/4885MEN1 883/4885KMT2A 3229/4885
US-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention HAMP, C1S, SLC40A1 RIPK1 3711/4885MEN1 640/4885KMT2A 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.