SCHEMBL4428934

SCHEMBL4428934

O=C(O)c1cn(-c2ccc(OC(F)F)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CCR6 P51684 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALKBH1 Q13686 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL4428259 0.86 KDM4E (0.46) KDM4EALKBH1
SCHEMBL4423070 0.81 CYP1A2 (0.50) KDM4E
SCHEMBL3772051 0.80 MARS1 (0.42) KDM4E
SCHEMBL9672218 0.79 KDM4E (0.47) KDM4E
SCHEMBL2174602 0.79 KDM4E (0.48) MEN1KMT2AKDM4E
SCHEMBL27911750 0.77 KDM4E (0.47) MEN1KMT2AKDM4E
SCHEMBL69486 0.76 KDM4E (0.55) LMNAKDM4E
SCHEMBL6785484 0.75 PDE3B (0.44) MEN1ALDH1A1LMNAHSP90AA1PKM
SCHEMBL4425081 0.75 MAP4K4 (0.51) KDM4E
SCHEMBL4424566 0.75 NPC1 (0.53) ALDH1A1KDM4E

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 MEN1 4125/4885ALDH1A1 3511/4885LMNA 4216/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A MEN1 3584/4885ALDH1A1 3660/4885LMNA 4581/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A MEN1 3584/4885ALDH1A1 3660/4885LMNA 4581/4885

“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.