SCHEMBL4434213

SCHEMBL4434213

OCc1cn(-c2ccc(Cl)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
MAP4K4 O95819 1/20 0.46
PHF8 Q9UPP1 1/20 0.46
KCNH2 Q12809 1/20 0.40
PTGS2 P35354 2/20 0.38
CPB1 P15086 1/20 0.36
CPB2 Q96IY4 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4428918 0.82 PDE3B (0.53) NOTUMKDM4EMAPTPDE3BPDE3A
SCHEMBL22185880 0.82 MAP4K4 (0.42) NOTUMKDM4EMAPTPDE3BPDE3A
SCHEMBL2173293 0.82 PDE3B (0.50) NOTUMKDM4EMAPTPDE3BPDE3A
SCHEMBL4432563 0.82 NOTUM (0.51) NOTUMKDM4EMAPTPDE3BPDE3A
SCHEMBL1698763 0.82 PDE3B (0.50) NOTUMKDM4EMAPTPDE3BPDE3A
SCHEMBL3426575 0.82 PDE3B (0.50) NOTUMKDM4EMAPTPDE3BPDE3A
SCHEMBL4433834 0.81 CPB2 (0.50) NOTUMKDM4EMAPTPDE3BPDE3A
SCHEMBL4423406 0.81 NOTUM (0.55) NOTUMKDM4EMAPTPDE3BPDE3A
SCHEMBL7092241 0.81 RXRA (0.41) NOTUMKDM4EMAPTPDE3BPDE3A
SCHEMBL4428915 0.80 NOTUM (0.56) NOTUMMAPTPDE3BPDE3APHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US claimed
CN-101798298-B Imidazole derivatives HOFFMANN LA ROCHE 2013-01-09 CN disclosed
CN-101798298-A Imdazole derivatives HOFFMANN LA ROCHE 2010-08-11 CN disclosed
CN-1489580-B Imidazole derivatives HOFFMANN LA ROCHE 2010-05-26 CN disclosed
EP-1358165-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-03-11 EP disclosed
CN-1489580-A Imidazole derivatives - 2004-04-14 CN 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
CN-85104129-A Prepare 4[5]-method of substituted imidazole 1986-12-24 CN disclosed
EP-0024829-B1 4-BENZYL- AND 4-BENZOYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Farmos-Yhtyma Oy (FI) 1984-04-25 EP disclosed
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 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 (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 4364/4885KDM4E 1141/4885MAPT 101/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A NOTUM 4107/4885KDM4E 1192/4885MAPT 448/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A NOTUM 4107/4885KDM4E 1192/4885MAPT 448/4885

“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.