SCHEMBL2170759

SCHEMBL2170759

CCOc1cccc(N=C=O)c1N=C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.49
GABRB2 P47870 1/20 0.49
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GLA P06280 1/20 0.38
DAO P14920 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PABPC1 P11940 1/20 0.36
CYP2A6 P11509 1/20 0.36
GRK6 P43250 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 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
SCHEMBL9622719 0.90 GABRA1 (0.55) GABRA1GABRB2CYP3A4ALDH1A1L3MBTL1
SCHEMBL3955069 0.87 CYP3A4 (0.47) GABRA1GABRB2CYP3A4ALDH1A1L3MBTL1
SCHEMBL19207371 0.86 GABRA1 (0.45) GABRA1GABRB2CYP3A4L3MBTL1MAPT
SCHEMBL1021154 0.84 CYP3A4 (0.47) GABRA1GABRB2CYP3A4ALDH1A1L3MBTL1
SCHEMBL30075523 0.84 CYP3A4 (0.47) GABRA1GABRB2CYP3A4ALDH1A1L3MBTL1
SCHEMBL15352051 0.83 CYP3A4 (0.61) GABRA1GABRB2CYP3A4ALDH1A1L3MBTL1
SCHEMBL10613243 0.83 GABRA1 (0.68) GABRA1GABRB2ALDH1A1L3MBTL1MAPT
SCHEMBL10613316 0.83 GABRA1 (0.49) GABRA1GABRB2CYP3A4ALDH1A1L3MBTL1
SCHEMBL10610758 0.83 AR (0.38) GABRA1GABRB2CYP3A4ALDH1A1L3MBTL1
SCHEMBL9491190 0.82 CYP3A4 (0.53) GABRA1GABRB2CYP3A4ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021079187-A1 MULTI(METH)ACRYLATE-FUNCTIONALIZED OLIGOMERS AND METHODS OF PREPARING AND USING SUCH OLIGOMERS ARKEMA FRANCE (FR) 2021-04-29 WO claimed
EP-1991608-A1 HIGHLY FILLED COMPOSITE MATERIALS Clausi, Robert N. (CA) 2008-11-19 EP claimed
WO-2007095730-A1 HIGHLY FILLED COMPOSITE MATERIALS CLAUSI ROBERT N (CA) 2007-08-30 WO claimed
EP-0048117-A2 In-mold coating compositions containing a non-isocyanate-reactive unsaturated resin, a non-isocyanate-reactive monomer and a free isocyanate-containing compound ICI AMERICAS INC. (US) 1982-03-24 EP claimed
US-12180136-B2 Organic amine collection method ASAHI KASEL KABUSHIKI KAISHA (JP) 2024-12-31 US disclosed
EP-4423158-A1 FLAME RETARDANT RIGID HIGH DENSITY POLYURETHANE FOAM Dow Quimica Mexicana S.A.de C.V. (MX) 2024-09-04 EP disclosed
CN-118302407-A Carbonyl compound, method for producing isocyanate compound, and isocyanate composition 旭化成株式会社 2024-07-05 CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
EP-4263209-A1 A TWO-COMPONENT POLYURETHANE COMPOSITION, PROCESS FOR PREPARING THE SAME AND A METHOD OF USE THEREOF ARKEMA FRANCE (FR) 2023-10-25 EP disclosed
WO-2023080258-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
WO-2023076139-A1 FLAME RETARDANT RIGID HIGH DENSITY POLYURETHANE FOAM DOW QUIMICA MEXICANA S.A.DE C.V. (MX) 2023-05-04 WO disclosed
WO-1991018033-A1 COMPOSITION TO BE USED IN THE RESIN INJECTION MOULDING TECHNIQUE, CONTAINING LOW MOLECULAR WEIGHT COMPOUNDS JOINTLY FORMING A HYBRID NETWORK DSM N.V. (NL) 1991-11-28 WO disclosed
EP-0104251-A4 QUATERNARY AMMONIUM BORATES AS POLYURETHANE CATALYSTS. AKZONA INC (US) 1984-08-20 EP disclosed
EP-0104251-A1 QUATERNARY AMMONIUM BORATES AS POLYURETHANE CATALYSTS Akzona Incorporated (US) 1984-04-04 EP disclosed
WO-1983003415-A1 QUATERNARY AMMONIUM BORATES AS POLYURETHANE CATALYSTS AKZONA INC (US) 1983-10-13 WO disclosed
EP-0008170-A1 Polyisocyanurate containing moulding compositions ICI AMERICAS INC. (US) 1980-02-20 EP disclosed
EP-0007779-A1 Method of increasing the viscosity of a thermoset composition and shaped articles made from this composition ICI AMERICAS INC. (US) 1980-02-06 EP disclosed
EP-0000658-A1 Process for preparing ethylenically unsaturated isocyanurates ICI AMERICAS INC. (US) 1979-02-07 EP disclosed
EP-0000659-A1 An isocyanurate composition formed by the trimerisation of an isocyanate group containing urethane of an aromatic polyisocyanate and a vinylidenecarbonyloxyalkanol and solutions, polymers and laminates obtained therefrom. ICI AMERICAS INC. (US) 1979-02-07 EP 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-12180136-B2 Organic amine collection method H1-0, F12, C1S GABRA1 3573/4885GABRB2 4287/4885CYP3A4 831/4885

“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.