SCHEMBL4429958

SCHEMBL4429958

COC(=O)c1ccnc(-c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.69
KDM4E B2RXH2 4/20 0.60
KDM4C Q9H3R0 2/20 0.60
KDM6B O15054 1/20 0.60
KDM5C P41229 1/20 0.60
KDM2A Q9Y2K7 1/20 0.60
KDM3A Q9Y4C1 1/20 0.60
JMJD6 Q6NYC1 1/20 0.53
KDM2B Q8NHM5 1/20 0.50
NOTUM Q6P988 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL581107 0.88 KDM4C (0.56) KMOKDM4EKDM4CKDM6BKDM5C
SCHEMBL25002924 0.85 KDM4C (0.63) KMOKDM4EKDM4CKDM6BKDM5C
Hydrochloric Acid SCHEMBL580942 0.84 KDM4C (0.61) KMOKDM4EKDM4CKDM6BKDM5C
SCHEMBL27997808 0.83 KDM4E (0.69) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL31211664 0.83 KDM4E (0.60) KMOKDM4EKDM4CKDM6BKDM5C
SCHEMBL581834 0.82 KDM4C (0.63) KMOKDM4EKDM4CKDM6BKDM5C
SCHEMBL26036536 0.82 KMO (0.64) KMOKDM4CKDM2BMEN1CYP1A2
SCHEMBL26036558 0.82 KMO (1.00) KMOKDM4EKDM4CKDM6BKDM5C
SCHEMBL1938488 0.82 KDM4C (0.58) KMOKDM4EKDM4CKDM6BKDM5C
Hydrochloric Acid SCHEMBL580611 0.81 KDM4C (0.61) KMOKDM4EKDM4CKDM6BKDM5C

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 KMO 357/4885KDM4E 1141/4885KDM4C 1652/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A KMO 1372/4885KDM4E 1192/4885KDM4C 1649/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A KMO 1372/4885KDM4E 1192/4885KDM4C 1649/4885

“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.