SCHEMBL14359693

SCHEMBL14359693

O=C(CBr)CC(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
MCL1 Q07820 1/20 0.54
ALDH1A1 P00352 4/20 0.53
HTT P42858 1/20 0.53
HPGD P15428 1/20 0.53
LMNA P02545 1/20 0.53
RAB9A P51151 1/20 0.51
HSP90AA1 P07900 1/20 0.51
MAPT P10636 1/20 0.51
EPHX2 P34913 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL2286641 0.86 GAA (0.66) GAAKMT2AMEN1L3MBTL1MCL1
SCHEMBL3087061 0.84 GAA (0.73) GAAKMT2AMEN1L3MBTL1MCL1
SCHEMBL14359694 0.83 GAA (0.61) GAAKMT2AMEN1L3MBTL1MCL1
SCHEMBL10534529 0.81 GAA (0.59) GAAKMT2AMEN1L3MBTL1MCL1
SCHEMBL622501 0.80 GAA (0.68) GAAKMT2AMEN1L3MBTL1MCL1
SCHEMBL10967899 0.79 GAA (0.72) GAAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL17358642 0.77 KMT2A (0.57) GAAKMT2AMEN1L3MBTL1MCL1
SCHEMBL6578808 0.77 GAA (0.63) GAAKMT2AMEN1L3MBTL1MCL1
SCHEMBL2109312 0.77 GAA (0.63) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL7126303 0.77 GAA (0.63) GAAKMT2AMEN1L3MBTL1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3808737-A1 PROCESSES FOR PREPARING MEDICAMENTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES AND INTERMEDIATES FOR USE THEREIN BIAL - Portela & Ca., S.A. (PT) 2021-04-21 EP disclosed
EP-3044215-B1 PROCESSES FOR PREPARING MEDICAMENTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES AND INTERMEDIATES FOR USE THEREIN BIAL PORTELA & CA SA (PT) 2020-04-29 EP disclosed
US-10059696-B2 Process for preparing 1,3-dihydroimidazole-2-thione derivatives BIAL-PORTELA & CA, S.A. (PT) 2018-08-28 US disclosed
EP-2726454-B1 PROCESS BIAL-PORTELA & CA S A (PT) 2018-01-24 EP disclosed
EP-2726454-B1 PROCESS BIAL-PORTELA & CA S A (PT) 2018-01-24 EP disclosed
US-20160311804-A1 Process BIAL-PORTELA & CA, S.A. (PT) 2016-10-27 US disclosed
US-20160311804-A1 Process BIAL-PORTELA & CA, S.A. (PT) 2016-10-27 US disclosed
US-20160221981-A1 Processes for Preparing Medicaments for the Treatment of Cardiovascular Diseases and Intermediates for Use Therein BIAL-PORTELA & CA., S.A. (PT) 2016-08-04 US disclosed
US-9346751-B2 Process for preparing 1, 3-Dihydroimidazole-2-Thione Derivatives BIAL-PORTELA & CA, S.A. (PT) 2016-05-24 US disclosed
US-9346751-B2 Process for preparing 1, 3-Dihydroimidazole-2-Thione Derivatives BIAL-PORTELA & CA, S.A. (PT) 2016-05-24 US disclosed
WO-2015038022-A1 PROCESSES FOR PREPARING MEDICAMENTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES AND INTERMEDIATES FOR USE THEREIN BIAL - PORTELA & CA., S.A. (PT) 2015-03-19 WO disclosed
US-20140221668-A1 Process BIAL-PORTELA & CA, S.A. (PT) 2014-08-07 US disclosed
US-20140221668-A1 Process BIAL-PORTELA & CA, S.A. (PT) 2014-08-07 US disclosed
EP-2726454-A2 PROCESS Bial-Portela & CA, S.A. (PT) 2014-05-07 EP disclosed
WO-2013002660-A2 PROCESS BIAL - PORTELA & Cª, S.A. (PT) 2013-01-03 WO disclosed
WO-2013002660-A2 PROCESS BIAL - PORTELA & Cª, S.A. (PT) 2013-01-03 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 (4 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-10059696-B2 Process for preparing 1,3-dihydroimidazole-2-thione derivatives DHPS, TPMT, SULT1E1 GAA 2094/4885KMT2A 2198/4885MEN1 1196/4885
US-20140221668-A1 Process DHPS, CYP3A5, SULT1E1 GAA 963/4885KMT2A 2703/4885MEN1 1090/4885
US-20160221981-A1 Processes for Preparing Medicaments for the Treatment of Cardiovascular Diseases and Intermediates for Use Therein DBH, COMT, ADRB3 GAA 661/4885KMT2A 2335/4885MEN1 3274/4885
US-20160311804-A1 Process DHPS, CYP3A5, SULT1E1 GAA 963/4885KMT2A 2703/4885MEN1 1090/4885

“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.