SCHEMBL2034488

SCHEMBL2034488

COC(=O)CCC(=NO)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
CYP1A2 P05177 1/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HPGD P15428 2/20 0.54
GSK3B P49841 1/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 5/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 3/20 0.46
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
OGG1 O15527 1/20 0.41
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL2034487 1.00 KMT2A (0.57) KMT2AMEN1CYP1A2ATML3MBTL1
SCHEMBL12170406 1.00 KMT2A (0.57) KMT2AMEN1CYP1A2ATML3MBTL1
SCHEMBL28742797 0.86 GSK3B (0.61) KMT2AMEN1CYP1A2ATML3MBTL1
SCHEMBL28958998 0.84 KMT2A (0.51) KMT2AMEN1CYP1A2ATML3MBTL1
SCHEMBL6157208 0.83 ALDH1A1 (0.51) KMT2AMEN1CYP1A2L3MBTL1ALDH1A1
SCHEMBL6157212 0.83 ALDH1A1 (0.51) KMT2AMEN1CYP1A2L3MBTL1ALDH1A1
SCHEMBL6157204 0.83 ALDH1A1 (0.51) KMT2AMEN1CYP1A2L3MBTL1ALDH1A1
SCHEMBL7398 0.80 KMT2A (0.64) KMT2AMEN1CYP1A2ATML3MBTL1
SCHEMBL2438088 0.77 POLB (0.50) KMT2AMEN1L3MBTL1HPGDMAPT
SCHEMBL2438089 0.77 POLB (0.50) KMT2AMEN1L3MBTL1HPGDMAPT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4545515-A1 BCL-2 INHIBITORS BeiGene Switzerland GmbH (CH) 2025-04-30 EP disclosed
CN-117683029-A Bcl-2 inhibitors 百济神州有限公司 2024-03-12 CN disclosed
CN-117430601-A Bcl-2 inhibitors 百济神州有限公司 2024-01-23 CN disclosed
CN-112437772-B Bcl-2 inhibitors 百济神州有限公司 2023-11-21 CN disclosed
US-11420968-B2 Bcl-2 inhibitors BEIGENE, LTD. (KY) 2022-08-23 US disclosed
CN-112437772-A Bcl-2 inhibitors 百济神州有限公司 2021-03-02 CN disclosed
US-20150065500-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-05 US disclosed
US-8324207-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-04 US disclosed
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-13 US disclosed
US-20110172229-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-14 US disclosed
US-7956052-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-07 US disclosed
US-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7659268-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-09 US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 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 (6 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-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4241/4885MEN1 4705/4885CYP1A2 1815/4885
US-11420968-B2 Bcl-2 inhibitors BCL2, BCL2L1, BCL2L2 KMT2A 2464/4885MEN1 3803/4885CYP1A2 2933/4885
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 KMT2A 3156/4885MEN1 4355/4885CYP1A2 1024/4885
US-20150065500-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KMT2A 4241/4885MEN1 4705/4885CYP1A2 1815/4885
US-20110172229-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4241/4885MEN1 4705/4885CYP1A2 1815/4885
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KMT2A 4241/4885MEN1 4705/4885CYP1A2 1815/4885

“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.