SCHEMBL338594

SCHEMBL338594

Cc1cc(=O)c(OCc2ccccc2)c(C(=O)NC2CCC2)n1C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SGMS2 Q8NHU3 1/20 0.48
CNR2 P34972 4/20 0.45
CNR1 P21554 3/20 0.45
DVL1 O14640 1/20 0.44
DVL3 Q92997 1/20 0.44
MAOB P27338 1/20 0.44
BRD4 O60885 3/20 0.43
HTR3A P46098 2/20 0.42
RIPK1 Q13546 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
SCHEMBL338494 0.98 KMT2A (0.52) MEN1KMT2AALDH1A1SGMS2CNR2
SCHEMBL339140 0.97 SGMS2 (0.53) MEN1KMT2AALDH1A1SGMS2CNR2
SCHEMBL338839 0.96 RIPK1 (0.46) MEN1KMT2AALDH1A1SGMS2CNR2
SCHEMBL338508 0.85 SGMS2 (0.51) MEN1KMT2AALDH1A1SGMS2CNR2
SCHEMBL5165003 0.83 MMP1 (0.46) MEN1KMT2AALDH1A1BRD4
SCHEMBL339469 0.83 RIPK1 (0.44) MEN1KMT2AALDH1A1SGMS2CNR2
SCHEMBL1206421 0.81 MEN1 (0.45) MEN1KMT2AALDH1A1
SCHEMBL21801611 0.79 KMT2A (0.51) MEN1KMT2AALDH1A1SGMS2CNR2
Methylamine SCHEMBL1207581 0.79 MEN1 (0.43) MEN1KMT2AALDH1A1
SCHEMBL14539771 0.79 KDM4E (0.44) MEN1KMT2AALDH1A1

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 5 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
US-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention APOTEX INC. (CA) 2007-04-12 US 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 883/4885KMT2A 3229/4885ALDH1A1 1709/4885
US-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention HAMP, C1S, SLC40A1 MEN1 640/4885KMT2A 4366/4885ALDH1A1 3337/4885

“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.