SCHEMBL4425317

SCHEMBL4425317

CC(C)(O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.50
AR P10275 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 1/20 0.36
ABL1 P00519 2/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL3426673 0.76 NOTUM (0.52) NOTUMSMN1; SMN2ABL1CYP11B2
SCHEMBL23451524 0.73 AR (0.73) NOTUMARKCNH2
SCHEMBL4425073 0.73 NOTUM (0.50) NOTUMKCNH2
SCHEMBL4423406 0.72 NOTUM (0.55) NOTUMKCNH2
SCHEMBL27906474 0.72 NOTUM (0.49) NOTUMSMN1; SMN2CYP11B2
SCHEMBL4426056 0.71 NOTUM (0.65) NOTUM
SCHEMBL4423495 0.70 NOTUM (0.50) NOTUMSMN1; SMN2KCNH2
SCHEMBL4428903 0.70 NOTUM (0.64) NOTUMSMN1; SMN2ABL1
SCHEMBL19402304 0.70 NOTUM (0.47) NOTUMKCNH2ABL1
SCHEMBL4432842 0.70 NOTUM (0.74) NOTUMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NOTUM 4364/4885AR 3226/4885SMN1; SMN2 716/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A NOTUM 4107/4885AR 4428/4885SMN1; SMN2 947/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A NOTUM 4107/4885AR 4428/4885SMN1; SMN2 947/4885

“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.