SCHEMBL542809

SCHEMBL542809

CC1(c2ccc(C#N)cc2)NC(=O)NC1=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.48
TNKS O95271 1/20 0.44
CYP2C9 P11712 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
SCHEMBL6474882 1.00 MEN1 (0.51) MEN1KMT2ALMNATNKSCYP2C9
SCHEMBL3892833 1.00 MEN1 (0.51) MEN1KMT2ALMNATNKSCYP2C9
SCHEMBL10163879 0.81 LMNA (0.47) MEN1KMT2ALMNATNKS
SCHEMBL542561 0.78 LMNA (0.53) MEN1KMT2ALMNATNKSCYP2C9
SCHEMBL20134878 0.78 LMNA (0.53) MEN1KMT2ALMNATNKSCYP2C9
SCHEMBL17054772 0.77 MEN1 (0.55) MEN1KMT2ALMNATNKS
SCHEMBL204119 0.77 LMNA (0.51) MEN1KMT2ALMNATNKSCYP2C9
SCHEMBL6135313 0.77 LMNA (0.51) MEN1KMT2ALMNATNKSCYP2C9
SCHEMBL17570773 0.77 LMNA (0.51) MEN1KMT2ALMNATNKS
SCHEMBL4385865 0.77 LMNA (0.51) MEN1KMT2ALMNATNKSCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
EP-2098515-A1 SUBSTITUTED CARBINOL COMPOUND Kowa Company. Ltd. (JP) 2009-09-09 EP disclosed
EP-0905139-B1 5 ring heterocyles, process for preparation, use as inhibitors of leukocyte adhesion and pharmaceutical preparations comprising them SANOFI AVENTIS DEUTSCHLAND (DE) 2009-01-21 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
US-6838439-B2 Heterocytes as inhibitors of leucocyte adhesion and as VLA-4 antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-04 US 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
EP-0842944-B1 Heterocycles as inhibitors of leukocyte adhesion and as antagonists of VLA-4 HOECHST AG (DE) 2003-07-09 EP 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-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-5998447-A ANTIINFLAMMATORY AGENTS HOECHST AKTIENGESELLSCHAFT AG (DE) 1999-12-07 US disclosed
US-5981492-A ADMINISTERED TO THE PATIENT TO INHIBIT THROMBOCYTE AGGREGATION, THE METASTASIZATION OF CARCINOMA CELLS, THE BINDING OF OSTEOCLASTS TO THE BONE SURFACE, OR FOR THE TREATMENT OF THROMBOSES HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-09 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-0905139-A2 5 ring heterocyles, process for preparation, use as inhibitors of leukocyte adhesion and pharmaceutical preparations comprising them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-31 EP disclosed
EP-0842945-A2 Heterocycles as inhibitors of leukocyte adhesion and as antagonists of VLA-4 HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 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-0842944-A2 Heterocycles as inhibitors of leukocyte adhesion and as antagonists of VLA-4 HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 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
WO-1995014008-A1 SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-26 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 MEN1 4547/4885KMT2A 2615/4885LMNA 1233/4885
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 MEN1 3926/4885KMT2A 1414/4885LMNA 1674/4885

“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.