SCHEMBL4385865

SCHEMBL4385865

C[C@@]1(c2ccc(Br)cc2)NC(=O)NC1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TNKS O95271 1/20 0.47
MMP2 P08253 3/20 0.39
MMP9 P14780 2/20 0.39
AKR1B1 P15121 1/20 0.39
HTR6 P50406 1/20 0.38
ADAM17 P78536 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MMP13 P45452 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
CNR1 P21554 2/20 0.37
CACNA1F O60840 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
SCN1A P35498 1/20 0.37

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
SCHEMBL6135313 1.00 LMNA (0.51) LMNAMEN1KMT2ATNKSMMP2
SCHEMBL204119 1.00 LMNA (0.51) LMNAMEN1KMT2ATNKSMMP2
SCHEMBL542561 0.82 LMNA (0.53) LMNAMEN1KMT2ATNKSMMP2
SCHEMBL20134878 0.82 LMNA (0.53) LMNAMEN1KMT2ATNKSMMP2
SCHEMBL542817 0.81 LMNA (0.51) LMNAMEN1KMT2ATNKSMMP2
SCHEMBL17054772 0.81 MEN1 (0.55) LMNAMEN1KMT2ATNKSMMP2
SCHEMBL7099930 0.81 LMNA (0.51) LMNAMEN1KMT2ATNKSMMP2
SCHEMBL17570773 0.81 LMNA (0.51) LMNAMEN1KMT2ATNKSMMP2
SCHEMBL10131744 0.81 LMNA (0.51) LMNAMEN1KMT2ATNKSMMP2
SCHEMBL17055125 0.81 MEN1 (0.55) LMNAMEN1KMT2ATNKSMMP2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2670738-A2 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-11 EP disclosed
WO-2012104263-A2 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 WO disclosed
EP-0903353-B1 Imidazolidine derivates, their preparation and use, and pharmaceutical compositions containing them SANOFI AVENTIS DEUTSCHLAND (DE) 2009-11-25 EP disclosed
EP-0816343-B1 Process for the preparation of chiral, non-racemic (4-aryl-2,5-dioxoimidazolidin-1-yl)-acetic acids SANOFI AVENTIS DEUTSCHLAND (DE) 2005-12-14 EP disclosed
EP-0811616-B1 Salts of 3-(2-(4-(4-(Amino-imino-methyl)-phenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl)-acetylamino)-3-phenyl-propionic acid ethylester AVENTIS PHARMA GMBH (DE) 2005-05-04 EP disclosed
US-20040220148-A1 5-Membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
US-6759424-B2 2,5-DIOXOIMIDAZOLIDINE OR 2-THIO-5-OXOIMIDAZOLIDINE DERIVATIVES SUITABLE FOR THE THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISORDERS, FOR EXAMPLE OF RHEUMATOID ARTHRITIS, OR OF ALLERGIC DISORDER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 US disclosed
CN-1125054-C Novel imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them AVENTIS PHARMACEUTICS GMBH (DE) 2003-10-22 CN disclosed
US-20030125565-A1 Imidazolidine derivatives, their preparation, their use, and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-07-03 US disclosed
EP-0842943-B1 5-Ring heterocycles as inhibitors of leukocyte adhesion and as VLA-4 antagonists HOECHST AG (DE) 2003-02-26 EP disclosed
US-6423712-B1 2,4-Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-23 US disclosed
US-6294562-B1 AMIDINO COMPOUNDS WITH AMIDO ESTERS CARDIOVASCULAR SYSTEM, DISEASES OF THE CORONARY VASCULAR SYSTEM OR THE CEREBROVASCULAR SYSTEM, OR PERIPHERAL ARTERIAL VASCULAR DISEASE HOECHST AKTIENGESELLSCHAFT (DE) 2001-09-25 US disclosed
US-6018053-A Process for the preparation of chiral, nonracemic (4-aryl-2,5-dioxoimidazolidin-1-yl) acetic acids HOECHST AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
US-5939556-A Hydantoin compounds, salts thereof, processes for their preparation, and processes for preparing pharmaceutically active compounds comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1999-08-17 US disclosed
EP-0903353-A1 Imidazolidine derivates, their preparation and use, and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-24 EP disclosed
EP-0842943-A2 5-Ring heterocycles as inhibitors of leukocyte adhesion and as VLA-4 antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 EP disclosed
EP-0823898-A1 HYDANTOINE DERIVATIVES AS INTERMEDIATE PRODUCTS FOR ACTIVE PHARMACEUTICAL AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-18 EP disclosed
EP-0816343-A1 Process for the preparation of chiral, non-racemic (4-aryl-2,5-dioxoimidazolin-1-yl)-acetic acids HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-07 EP disclosed
EP-0811616-A1 Salts of 3-(2-(4-(4-(Amino-imino-methyl)-phenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl)-acetylamino)-3-phenyl-propionic acid ethylester HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-10 EP disclosed
WO-1996033976-A1 HYDANTOINE DERIVATIVES AS INTERMEDIATE PRODUCTS FOR ACTIVE PHARMACEUTICAL AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-31 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 (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-20040220148-A1 5-Membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists VCAM1, LTB4R, ITGB4 LMNA 1233/4885MEN1 4547/4885KMT2A 2615/4885
US-20030125565-A1 Imidazolidine derivatives, their preparation, their use, and pharmaceutical preparations comprising them VCAM1, ITGA1, ITGA4 LMNA 1133/4885MEN1 4123/4885KMT2A 1175/4885

“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.