SCHEMBL4698118

SCHEMBL4698118

CCOC(=O)C1C=Cc2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.38
AR P10275 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 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
SCHEMBL3250625 0.83 MAPT (0.40) KDM4ESMN1; SMN2LMNATSHRMEN1
SCHEMBL28219643 0.83 FABP7 (0.43) LMNATSHRKMT2AALDH1A1L3MBTL1
SCHEMBL8559657 0.81 MAPT (0.36) KDM4ESMN1; SMN2LMNATSHRCYP1A2
SCHEMBL11386324 0.79 P2RX4 (0.37) KDM4ESMN1; SMN2LMNATSHRALDH1A1
SCHEMBL14921032 0.79 EPHX2 (0.36) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL30805659 0.79 EPHX2 (0.36) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL385982 0.76 MAPT (0.40) KDM4ESMN1; SMN2TSHRMEN1CYP2C19
SCHEMBL4372310 0.75 LMNA (0.47) KDM4ESMN1; SMN2LMNATSHRMEN1
SCHEMBL29539865 0.75 LMNA (0.47) KDM4ESMN1; SMN2LMNATSHRMEN1
SCHEMBL1286805 0.74 MAPT (0.38) KDM4ESMN1; SMN2LMNATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591212-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2022-06-07 CN disclosed
EP-2773619-A1 NEW ARYL-QUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP disclosed
WO-2013064465-A1 NEW ARYL-QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed
CN-101466681-A Tumor necrosis factor alpha inhibitors and their use in the treatment of human diseases AVANIR PHARMACEUTICALS (US) 2009-06-24 CN disclosed
EP-1996553-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES Avanir Pharmaceuticals (US) 2008-12-03 EP disclosed
WO-2007109251-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-09-27 WO disclosed
US-7268164-B2 Anti-epileptogenic agents QUEENS UNIVERSITY AT KINGSTON (CA) 2007-09-11 US disclosed
CN-1750823-A Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2006-03-22 CN disclosed
US-6930112-B2 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2005-08-16 US disclosed
EP-1386166-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP disclosed
US-20030229144-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2003-12-11 US disclosed
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant QUEEN'S UNIVERSITY AT KINGSTON AND NEUROCHEM, INC. 2003-10-16 US disclosed
WO-2002073208-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-09-19 WO disclosed
US-20020025949-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2002-02-28 US disclosed
US-6306909-B1 AMINOACID DERIVATIVES AND ESTERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-23 US disclosed
EP-0969823-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-01-12 EP disclosed
US-5874316-A MEMBRANE COMPRISING TWO LAYERS, CLOSELY PACKED ARRAY OF AMPHIPHILIC MOLECULES AND PLURALITY OF GRAMICIDIN IONOPHORES COMPRISING MEMBRANE SPANNING SYSTEM, ATTACHED RECEPTOR MOLECULES; BINDING OF ANALYTE TO RECEPTOR CHANGES ION FLOW AUSTRALIAN MEMBRANE BIOTECHNOLOGY RESEARCH INSTITUTE (AU) 1999-02-23 US disclosed
WO-1998040055-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-09-17 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 (3 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-20030229144-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 KDM4E 1626/4885SMN1; SMN2 2348/4885LMNA 2343/4885
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 KDM4E 1615/4885SMN1; SMN2 3205/4885LMNA 2739/4885
US-20020025949-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 KDM4E 1626/4885SMN1; SMN2 2348/4885LMNA 2343/4885

“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.