SCHEMBL334504

SCHEMBL334504

O=C=Nc1cccc(F)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
PBRM1 Q86U86 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.34
TRPA1 O75762 1/20 0.32
GAA P10253 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL58545 0.85 CYP3A4 (0.60) CYP3A4GABRA1GABRB2TDP1MAPK1
SCHEMBL3541901 0.82 CYP3A4 (0.38) CYP3A4GABRA1GABRB2TDP1MAPK1
SCHEMBL2770263 0.80 ALDH1A1 (0.46) CYP3A4GABRA1GABRB2PBRM1TDP1
SCHEMBL1595410 0.79 CYP3A4 (0.54) CYP3A4GABRA1GABRB2TDP1TRPA1
SCHEMBL93182 0.79 CYP3A4 (0.54) CYP3A4GABRA1GABRB2TDP1MAPK1
SCHEMBL29662014 0.79 CYP3A4 (0.54) CYP3A4GABRA1GABRB2TDP1TRPA1
SCHEMBL29862583 0.79 CYP3A4 (0.54) CYP3A4GABRA1GABRB2TDP1MAPK1
SCHEMBL29536872 0.79 CYP3A4 (0.52) CYP3A4GABRA1GABRB2TDP1MAPK1
SCHEMBL93162 0.79 CYP3A4 (0.52) CYP3A4GABRA1GABRB2TDP1MAPK1
SCHEMBL30625397 0.78 CYP3A4 (0.52) CYP3A4GABRA1GABRB2TDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4470930-A Preparation of nuclear chlorinated aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-11 US claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
EP-4298140-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-01-03 EP disclosed
CN-116917364-A Low viscosity catalyst composition for producing isocyanurate polymers 科思创德国股份有限公司 2023-10-20 CN disclosed
CN-112020525-B Adducts of amine catalysts for preparing isocyanurate polymers 科思创知识产权两合公司 2023-05-16 CN disclosed
US-20220363809-A1 POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2022-11-17 US disclosed
WO-2007150015-A2 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2007-12-27 WO disclosed
WO-2007150015-A2 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2007-12-27 WO disclosed
WO-2007150016-A2 IL-8 RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 2007-12-27 WO disclosed
WO-2007150016-A2 IL-8 RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 2007-12-27 WO disclosed
WO-2007124424-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-11-01 WO disclosed
US-20070249672-A1 IL-8 Receptor Antagonists GLAXOSMITHKLINE LLC 2007-10-25 US disclosed
US-4704483-A FLUORINATION WITH POTASSIUM FLUORIDE OCCIDENTAL CHEMICAL CORPORATION (US) 1987-11-03 US disclosed
US-4582948-A VAPOR PHASE CHLORO-DENITRATION REACTION OCCIDENTAL CHEMICAL CORPORATION (US) 1986-04-15 US disclosed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 EP disclosed
US-4470930-A Preparation of nuclear chlorinated aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-11 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 (1 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-20070249672-A1 IL-8 Receptor Antagonists CXCL8, CCR8, IL1RN CYP3A4 3211/4885GABRA1 610/4885GABRB2 774/4885

“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.