SCHEMBL731371

SCHEMBL731371

COc1ccc(C)[n+]([O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 3/20 0.43
CA7 P43166 2/20 0.43
CA12 O43570 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ACHE P22303 2/20 0.42
PKM P14618 3/20 0.41
BCL2 P10415 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
MAPK1 P28482 2/20 0.36
GAA P10253 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL9264667 0.77 NQO1 (0.50) CA1CA2CA9CA7CA12
SCHEMBL942390 0.76 CA1 (0.42) CA1CA2CA9CA7CA12
SCHEMBL19616415 0.76 CA1 (0.42) CA1CA2CA9CA7CA12
SCHEMBL509739 0.75 HTT (0.49) CA1CA2CA9L3MBTL1KDM4E
SCHEMBL3332404 0.74 CA12 (0.47) CA1CA2CA9CA7CA12
SCHEMBL3303080 0.72 CYP3A4 (0.44) CA1CA9CA12MAPK1GAA
SCHEMBL31535988 0.72 CA1 (0.39) CA1CA2CA9CA7CA12
SCHEMBL1581461 0.72 CA1 (0.39) CA1CA2CA9CA7CA12
SCHEMBL3583760 0.72 ALDH1A1 (0.49) MAPK1GAAL3MBTL1KDM4EMAPT
SCHEMBL9716210 0.70 PTGS2 (0.41) L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3272754-B1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2019-05-29 EP disclosed
EP-3272754-A1 IMIDAZOPYRROLIDINONE COMPOUNDS Novartis AG (CH) 2018-01-24 EP disclosed
EP-2822953-B9 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER (US) 2017-06-21 EP disclosed
EP-3064502-A1 IMIDAZOPYRROLIDINONE COMPOUNDS Novartis AG (CH) 2016-09-07 EP disclosed
EP-2010493-B1 PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2016-01-27 EP disclosed
US-9133215-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2015-09-15 US disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
EP-2807164-A1 IMIDAZOPYRROLIDINONE COMPOUNDS Novartis AG (CH) 2014-12-03 EP disclosed
US-20140343084-A1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2014-11-20 US disclosed
US-8815926-B2 Substituted pyrrolo[3,4-D]imidazoles for the treatment of MDM2/4 mediated diseases NOVARTIS AG (CH) 2014-08-26 US disclosed
EP-0920424-B1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6194437-B1 ANTIDEPRESSANTS; ANTICANCER AGENTS; GASTROINTESTINAL DISORDERS; COGNITION ACTIVATORS WARNER-LAMBERT COMPANY 2001-02-27 US disclosed
EP-0920424-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-06-09 EP disclosed
WO-1998007718-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-26 WO disclosed
US-5506227-A USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-04-09 US disclosed
EP-0639181-A1 PYRIDINE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1995-02-22 EP disclosed
WO-1993021158-A1 PYRIDINE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 WO disclosed
US-4758579-A e.g. pantoprazole or pantoprazole sodium BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-07-19 US disclosed
US-4686230-A Picoline derivative useful as gastric acid secretion inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-08-11 US disclosed
US-4230714-A Imidazole therapeutic agents PFIZER INC. (US) 1980-10-28 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 (1 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-20140343084-A1 IMIDAZOPYRROLIDINONE COMPOUNDS MDM4, MDM2, TP53 CA1 3724/4885CA2 4224/4885CA9 4068/4885

“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.