SCHEMBL20145

SCHEMBL20145

Cc1cccc(N=C=O)c1N=C=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.63
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
TRPA1 O75762 1/20 0.46
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 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
SCHEMBL30520271 1.00 CYP3A4 (0.63) CYP3A4GABRA1GABRB2TRPA1MEN1
Methane SCHEMBL10941733 0.98 CYP3A4 (0.61) CYP3A4GABRA1GABRB2TRPA1MEN1
SCHEMBL28953537 0.94 CYP3A4 (0.57) CYP3A4GABRA1GABRB2TRPA1MEN1
SCHEMBL1669008 0.94 CYP3A4 (0.57) CYP3A4GABRA1GABRB2TRPA1MEN1
SCHEMBL11667361 0.92 CYP3A4 (0.59) CYP3A4GABRA1GABRB2TRPA1MEN1
Cyanate SCHEMBL22187751 0.91 CYP3A4 (0.53) CYP3A4GABRA1GABRB2TRPA1MEN1
Alcohol SCHEMBL9810773 0.91 CYP3A4 (0.53) CYP3A4GABRA1GABRB2TRPA1MEN1
Urea SCHEMBL17063541 0.91 CYP3A4 (0.53) CYP3A4GABRA1GABRB2TRPA1MEN1
Toluene SCHEMBL27882185 0.91 CYP3A4 (0.53) CYP3A4GABRA1GABRB2TRPA1MEN1
SCHEMBL374209 0.87 GABRA1 (0.56) CYP3A4GABRA1GABRB2TRPA1MEN1

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

Appears in 6320 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541859-B1 RECYCLED POLYOL H&S ANLAGENTECHNIK GMBH (DE) 2026-03-25 EP claimed
WO-2026040069-A1 REACTIVE HOT-MELT ADHESIVE COMPOSITION AND USE THEREOF HENKEL AG & CO. KGAA (DE) 2026-02-26 WO claimed
EP-4678673-A1 MERCAPTO-FUNCTIONAL ADDUCT OF ISOCYANATE GROUP-CONTAINING POLYMER HAVING LOW MONOMER CONTENT Sika Technology AG (CH) 2026-01-14 EP claimed
EP-4652212-A1 PROCESS FOR PREPARING STORAGE-STABLE ISOCYANATE-TERMINATED PREPOLYMERS WITH LONG PROCESSING LIFE Covestro Deutschland AG (DE) 2025-11-26 EP claimed
US-20250312749-A1 POLYAMIDINE-CONTAINING MEMBRANES FOR CO2 SEPARATIONS FROM GASEOUS STREAMS UNITED STATES DEPARTMENT OF ENERGY 2025-10-09 US claimed
US-12378180-B2 Recyclable and reworkable polyol(s) ADITYA BIRLA CHEMICALS (THAILAND) LTD. (EPOXY DIVISION) (TH) 2025-08-05 US claimed
EP-4587176-A2 POLYGUANIDINE-CONTAINING MEMBRANES AND METHODS OF USING THEREOF Ohio State Innovation Foundation (US) 2025-07-23 EP claimed
US-20250222395-A1 MEMBRANES FOR THE SEPARATION OF H2S FROM H2S-CO2 MIXTURES UNITED STATES DEPARTMENT OF ENERGY 2025-07-10 US claimed
EP-4578888-A2 BIO-DERIVED POLYURETHANE FIBER Invista Technologies S.à.r.l. (CH) 2025-07-02 EP claimed
WO-2025131844-A1 CURABLE POLYMER COMPOSITIONS CONTAINING ALDIMINES, POLYISOCYANATES AND COMPOUNDS HAVING ACTIVATED METHYLENE GROUPS SIKA TECHNOLOGY AG (CH) 2025-06-26 WO claimed
EP-0011784-A1 Suspensions of aromatic isocyanatosulfonic-acid uretdiones in organic polyisocyanates and process for their preparation BAYER AG (DE) 1980-06-11 EP claimed
EP-0005473-A1 Process for the manufacture of laminated materials and binding agent suited to carry out the process BAYER AG (DE) 1979-11-28 EP claimed
US-4166066-A DISPERSING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-08-28 US claimed
US-4163749-A Dispersing agents IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-08-07 US claimed
US-4141857-A INORGANIC SUPPORT, POLYAMINE, GLUTARAL OR TOLUENE DIISOCYANATE UOP INC. (US) 1979-02-27 US claimed
US-4076577-A Process for the separation of residues of toluenediisocyanate production BASF WYANDOTTE CORPORATION (US) 1978-02-28 US claimed
US-4071313-A TREATMENT OF FIBERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1978-01-31 US claimed
US-4054545-A Process for the preparation of flexible polyurethane foams RHONE-POULENC INDUSTRIES (FR) 1977-10-18 US claimed
US-3987013-A CROSSLINKED POLYMERS FROM AN ISOCYANATE AND AN AMINE- OR AMIDE-METHYLOLPHOSPHINE ADDUCT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1976-10-19 US claimed
US-3971681-A Composite double base propellant with triaminoguanidinium azide THE DOW CHEMICAL COMPANY (US) 1976-07-27 US claimed