SCHEMBL5751280

SCHEMBL5751280

NC(=O)C=Cc1ccc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.55
CYP1B1 Q16678 1/20 0.55
NFE2L2 Q16236 5/20 0.52
HTR2A P28223 3/20 0.50
HTR2C P28335 3/20 0.50
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
KCNH2 Q12809 1/20 0.50
MIF P14174 1/20 0.50
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
PELI1 Q96FA3 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL5751272 1.00 CYP1A1 (0.55) CYP1A1CYP1B1NFE2L2HTR2AHTR2C
SCHEMBL3573369 0.85 CYP1A1 (0.58) CYP1A1CYP1B1NFE2L2HTR2AHTR2C
SCHEMBL3573370 0.85 CYP1A1 (0.58) CYP1A1CYP1B1NFE2L2HTR2AHTR2C
SCHEMBL716630 0.83 MIF (0.71) CYP1A1CYP1B1NFE2L2HTR2AHTR2C
SCHEMBL1920415 0.83 MIF (0.71) CYP1A1CYP1B1NFE2L2HTR2AHTR2C
SCHEMBL29407005 0.83 MIF (0.71) CYP1A1CYP1B1NFE2L2HTR2AHTR2C
SCHEMBL716629 0.83 MIF (0.71) CYP1A1CYP1B1NFE2L2HTR2AHTR2C
SCHEMBL2825722 0.82 GRIN2D (0.55) CYP1A1CYP1B1NFE2L2HTR2AHTR2C
SCHEMBL7477687 0.82 MIF (0.47) CYP1A1CYP1B1HTR2AHTR2CKCNH2
SCHEMBL7480804 0.82 DGAT1 (0.51) CYP1A1CYP1B1MIFPELI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116768792-B Cinnamamide-hydroxypyridone derivative, and preparation method and application thereof 浙江工业大学 2024-10-18 CN disclosed
CN-116768792-A Cinnamamide-hydroxypyridone derivative, and preparation method and application thereof 浙江工业大学 2023-09-19 CN disclosed
US-6984653-B2 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-10 US disclosed
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP disclosed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
US-20040242659-A1 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-02 US disclosed
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
EP-1439178-A1 HETEROCYCLIC COMPOUNDS, OXAZOLE DERIVATIVES, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-21 EP disclosed
US-20040053972-A1 Medicinal compositions having improved absorbability TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-18 US disclosed
US-20040024035-A1 Heterocyclic compounds, their production and use TASAKA AKIHIRO (JP) 2004-02-05 US disclosed
EP-1350792-A1 MEDICINAL COMPOSITIONS IMPROVED IN SOLUBLITY IN WATER Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
EP-1350793-A1 MEDICINAL COMPOSITIONS HAVING IMPROVED ABSORBABILITY Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
US-20020173526-A1 Heterocyclic compounds their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-21 US disclosed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 WO disclosed
WO-1998042347-A1 PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 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 (5 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-20040024035-A1 Heterocyclic compounds, their production and use ABL1, ROS1, MAPK1 CYP1A1 349/4885CYP1B1 247/4885NFE2L2 1726/4885
US-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 CYP1A1 470/4885CYP1B1 324/4885NFE2L2 1998/4885
US-20040242659-A1 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof ABL1, JAK1, BTK CYP1A1 1002/4885CYP1B1 628/4885NFE2L2 3862/4885
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM CYP1A1 3766/4885CYP1B1 3195/4885NFE2L2 767/4885
US-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 CYP1A1 1467/4885CYP1B1 1156/4885NFE2L2 1365/4885

“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.