SCHEMBL1362996

SCHEMBL1362996

COc1ccc(Br)cc1CN(C(=O)O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 2/20 0.45
USP2 O75604 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL17372745 0.85 MEN1 (0.40) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL1362512 0.84 LMNA (0.46) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2518702 0.82 RIPK1 (0.40) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL2516419 0.82 ALDH1A1 (0.43) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL2018680 0.82 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL1845830 0.81 MEN1 (0.52) KMT2AMEN1ALDH1A1TDP1L3MBTL1
SCHEMBL1847131 0.81 ALDH1A1 (0.48) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12542014 0.77 MEN1 (0.48) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3696560 0.76 SLC6A4 (0.56) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL29888844 0.76 SLC6A4 (0.56) POLBKMT2AMEN1ALDH1A1KDM4E

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
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
EP-2325175-A1 2,4-DIAMINOPYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2011-05-25 EP disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A POLB 2080/4885KMT2A 2211/4885MEN1 4113/4885
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND PRKCZ, DCLK1, AAK1 POLB 3758/4885KMT2A 1333/4885MEN1 4795/4885

“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.