SCHEMBL4435565

SCHEMBL4435565

CC(F)(F)c1cc(Br)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.39
RXRA P19793 7/20 0.39
GRIN1 Q05586 7/20 0.39
KDM1A O60341 4/20 0.37
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
KCNH2 Q12809 4/20 0.35
DGAT1 O75907 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
IDO1 P14902 1/20 0.34
KDM1B Q8NB78 1/20 0.32
USP28 Q96RU2 1/20 0.32
USP25 Q9UHP3 1/20 0.32

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
SCHEMBL29465742 1.00 GRIN2B (0.39) GRIN2BRXRAGRIN1KDM1APTPN7
SCHEMBL3527105 0.84 PTGDR2 (0.42) GRIN2BRXRAGRIN1KDM1APTPN7
SCHEMBL18285726 0.83 CYP11B1 (0.39) KDM1ADGAT1KDM1B
SCHEMBL29988758 0.83 CYP11B1 (0.39) KDM1ADGAT1KDM1B
SCHEMBL690073 0.82 PTPN7 (0.47) GRIN2BRXRAGRIN1KDM1APTPN7
SCHEMBL29890371 0.82 PTPN7 (0.47) GRIN2BRXRAGRIN1KDM1APTPN7
SCHEMBL360540 0.81 DGAT1 (0.41) KDM1APTPN7DUSP3DGAT1PTGDR2
SCHEMBL30374570 0.81 DGAT1 (0.41) KDM1APTPN7DUSP3DGAT1PTGDR2
SCHEMBL11300627 0.81 DGAT1 (0.37) KDM1APTPN7DUSP3DGAT1PTGDR2
Hydrochloric Acid SCHEMBL12614486 0.79 DGAT1 (0.36) KDM1APTPN7DUSP3DGAT1PTGDR2

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479818-B2 Treatment of fibrosis with IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2025-11-25 US disclosed
US-20250353819-A1 ARYL HYDANTOIN COMPOUNDS AND METHODS OF USE BOARD OF REGENTS THE UNIV OF NEBRASKA (US) 2025-11-20 US disclosed
EP-3707126-B1 IRE1 SMALL MOLECULE INHIBITORS UNIV CORNELL (US) 2025-05-14 EP disclosed
US-20250136598-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2025-05-01 US disclosed
US-20240425477-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2024-12-26 US disclosed
US-12172997-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2024-12-24 US disclosed
US-12071424-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2024-08-27 US disclosed
US-11993587-B2 Substituted pyrazolo-pyrazines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2024-05-28 US disclosed
CN-111566089-B IRE1 small molecule inhibitors 康奈尔大学 2023-11-17 CN disclosed
US-20230271935-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2023-08-31 US 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
US-20030229096-A1 Substituted imidazol-pyridazine derivatives EVOTEC INTERNATIONAL GMBH (DE) 2003-12-11 US disclosed
WO-2003097637-A1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 WO 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 (12 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-20230271935-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 GRIN2B 4767/4885RXRA 3385/4885GRIN1 4736/4885
US-20240425477-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 GRIN2B 4767/4885RXRA 3385/4885GRIN1 4736/4885
US-12172997-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3A GRIN2B 1/4885RXRA 904/4885GRIN1 5/4885
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 GRIN2B 2/4885RXRA 2410/4885GRIN1 1/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A GRIN2B 1/4885RXRA 2501/4885GRIN1 2/4885
US-20250353819-A1 ARYL HYDANTOIN COMPOUNDS AND METHODS OF USE XDH, NAT1, HAX1 GRIN2B 2637/4885RXRA 912/4885GRIN1 1386/4885
US-20250136598-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3A GRIN2B 1/4885RXRA 904/4885GRIN1 5/4885
US-12071424-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 GRIN2B 4767/4885RXRA 3385/4885GRIN1 4736/4885
US-12479818-B2 Treatment of fibrosis with IRE1 small molecule inhibitors XBP1, DDIT3, HSP90B1 GRIN2B 4849/4885RXRA 1906/4885GRIN1 4811/4885
US-11993587-B2 Substituted pyrazolo-pyrazines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN2C GRIN2B 1/4885RXRA 1175/4885GRIN1 5/4885
US-20030229096-A1 Substituted imidazol-pyridazine derivatives GRIN2B, GRIN2A, GRIN2C GRIN2B 1/4885RXRA 1271/4885GRIN1 5/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A GRIN2B 1/4885RXRA 2501/4885GRIN1 2/4885

“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.