SCHEMBL4425322

SCHEMBL4425322

COc1cccc(-n2cnc(C(=O)O)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
USP30 Q70CQ3 1/20 0.51
ALKBH5 Q6P6C2 1/20 0.49
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
NOTUM Q6P988 1/20 0.47

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
SCHEMBL9669548 0.86 KDM4E (0.49) KDM4E
SCHEMBL19017617 0.85 USP30 (0.56) USP30LMNAALDH1A1HPGD
SCHEMBL4423070 0.84 CYP1A2 (0.50) KDM4E
SCHEMBL4428259 0.83 KDM4E (0.46) KDM4E
SCHEMBL9464637 0.83 NOTUM (0.65) KDM4EUSP30ALDH1A1HPGDNOTUM
SCHEMBL9464590 0.83 USP30 (0.47) USP30LMNAALDH1A1HPGDNOTUM
SCHEMBL12191233 0.82 KDM4E (0.57) KDM4EALKBH5NOTUM
SCHEMBL4435952 0.82 USP30 (0.46) KDM4EUSP30NOTUM
SCHEMBL30504030 0.81 KDM4E (0.51) KDM4ENOTUM
SCHEMBL9672296 0.81 MLLT3 (0.61) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323799-B1 IMIDAZOLE DERIVATIVES II SCHERING AKTIENGESELLSCHAFT (DE) 1992-11-11 EP claimed
EP-1358165-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-03-11 EP disclosed
US-6683097-B2 AFFINITY TO NMDA (N-METHYL-D-ASPARTATE)-RECEPTOR SUBTYPE SELECTIVE BLOCKERS; MEDIATING PROCESSES UNDERLYING DEVELOPMENT OF CENTRAL NERVOUS SYSTEM AS WELL AS LEARNING AND MEMORY FORMATION HOFFMANN-LA ROCHE INC. 2004-01-27 US disclosed
US-6667335-B2 NMDA (N-methyl-D-aspartate)-receptor subtype selective blockers HOFFMANN-LA ROCHE INC. 2003-12-23 US disclosed
EP-1358165-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20030191311-A1 A 5-(imidazol-1-yl-methyl)-pyridine derivatives for treating an NMDA-receptor-mediated disease, neurodegeneration disorder caused by stroke or brain trauma, Alzheimer's disease, Parkinson's disease, Huntington's disease EVOTEC INTERNATIONAL GMBH (DE) 2003-10-09 US disclosed
US-20030187268-A1 Imidazole derivatives EVOTEC INTERNATIONAL GMBH (DE) 2003-10-02 US disclosed
US-6610723-B2 Such as 3-(3,4-dimethyl-phenyl)-5-(2-methyl-imidazol-1-yl-methyl)-pyridine having affinity to N-methyl-D-aspartate-receptor subtype selective blockers; central nervous system; learning, memory, neurodegeneration HOFFMANN-LA ROCHE INC. 2003-08-26 US disclosed
US-20020151715-A1 Imidazole derivatives EVOTEC INTERNATIONAL GMBH (DE) 2002-10-17 US disclosed
WO-2002060877-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 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-20030191311-A1 A 5-(imidazol-1-yl-methyl)-pyridine derivatives for treating an NMDA-receptor-mediated disease, neurodegeneration disorder caused by stroke or brain trauma, Alzheimer's disease, Parkinson's disease, Huntington's disease GRIN1, GRIN2B, GRIN3B KDM4E 1141/4885USP30 3136/4885ALKBH5 3440/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A KDM4E 1192/4885USP30 3545/4885ALKBH5 3588/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A KDM4E 1192/4885USP30 3545/4885ALKBH5 3588/4885

“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.