SCHEMBL339672

SCHEMBL339672

Cc1cc(=O)c(OCc2ccccc2)c(C(=O)NC2CCCC2)o1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 2/20 0.53
SGMS2 Q8NHU3 1/20 0.52
MAOB P27338 1/20 0.52
CNR2 P34972 4/20 0.48
CNR1 P21554 3/20 0.48
BRD4 O60885 2/20 0.47
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
IDH1 O75874 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL339133 0.99 SGMS2 (0.54) KMT2AMEN1ALDH1A1SGMS2MAOB
SCHEMBL338498 0.98 MEN1 (0.50) KMT2AMEN1ALDH1A1SGMS2MAOB
SCHEMBL339006 0.96 BRD4 (0.47) KMT2AMEN1ALDH1A1SGMS2MAOB
SCHEMBL337855 0.83 IDH1 (0.49) KMT2AMEN1ALDH1A1MAOBBRD4
SCHEMBL13395924 0.81 BRD4 (0.50) ALDH1A1MAOBBRD4NPC1RAB9A
SCHEMBL338697 0.80 IDH1 (0.50) KMT2AMEN1ALDH1A1MAOBHTT
SCHEMBL338935 0.78 IDH1 (0.48) KMT2AMEN1ALDH1A1HTTNPC1
SCHEMBL338494 0.78 KMT2A (0.52) KMT2AMEN1ALDH1A1SGMS2MAOB
SCHEMBL339140 0.77 SGMS2 (0.53) KMT2AMEN1ALDH1A1SGMS2MAOB
SCHEMBL2984201 0.77 MMP3 (0.72) KMT2AMEN1ALDH1A1SMN1; SMN2

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 6 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
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 KMT2A 3229/4885MEN1 883/4885ALDH1A1 1709/4885
US-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention HAMP, C1S, SLC40A1 KMT2A 4366/4885MEN1 640/4885ALDH1A1 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.