SCHEMBL108775

SCHEMBL108775

O=C=Nc1ccc(Cc2ccc(N=C=O)cc2N=C=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.63
TSHR P16473 1/20 0.63
TRPA1 O75762 1/20 0.51
CYP1A2 P05177 1/20 0.51
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
P2RY6 Q15077 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL1130659 0.94 CYP3A4 (0.56) CYP3A4TSHRTRPA1CYP1A2TDP1
SCHEMBL1396400 0.92 CYP3A4 (0.67) CYP3A4TSHRTRPA1CYP1A2TDP1
SCHEMBL29975843 0.90 CYP3A4 (0.50) CYP3A4TSHRTRPA1CYP1A2TDP1
SCHEMBL211654 0.90 CYP3A4 (0.50) CYP3A4TSHRTRPA1CYP1A2TDP1
SCHEMBL374838 0.89 CYP3A4 (0.58) CYP3A4TSHRTRPA1CYP1A2TDP1
SCHEMBL8139264 0.89 CYP3A4 (0.56) CYP3A4TSHRTRPA1CYP1A2TDP1
SCHEMBL1396327 0.87 CYP3A4 (0.56) CYP3A4TSHRTRPA1CYP1A2TDP1
SCHEMBL374837 0.86 CYP3A4 (0.63) CYP3A4TSHRTRPA1CYP1A2TDP1
SCHEMBL2858280 0.86 CYP3A4 (0.68) CYP3A4TSHRTRPA1CYP1A2TDP1
SCHEMBL23825209 0.85 CYP3A4 (0.69) CYP3A4TSHRTRPA1CYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds ENEVATE CORP (US) 2024-10-03 US claimed
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION 2021-08-12 US claimed
WO-2021158366-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION (US) 2021-08-12 WO claimed
EP-1439155-B1 Reaction-resin mortar for two-component systems FISCHERWERKE GMBH & CO KG (DE) 2013-08-21 EP claimed
US-5998510-A POLYESTERURETHANE COPOLYMER PREMIX, INC. (US) 1999-12-07 US claimed
US-4728577-A BINDER OF CELLULOSE DERIVATIVE, POLYURETHANE AND POLYISOCYANATE FUJI PHOTO FILM CO., LTD. (JP) 1988-03-01 US claimed
US-4664979-A DURABLE MAGNETIC TAPES FUJI PHOTO FILM CO., LTD. (JP) 1987-05-12 US 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-4268649-A PHENOL-FORMALDEHYDE RESIN, ISOCYANATE, AMINE RUTGERSWERKE AKTIENGESELLSCHAFT (DE) 1981-05-19 US claimed
US-4201835-A PHENOLIC RESIN, POLYISOCYANATE, AMINE RUTGERSWERKE AKTIENGESELLSCHAFT (DE) 1980-05-06 US claimed
US-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds ENEVATE CORP (US) 2024-10-03 US disclosed
US-20240228764-A9 AQUEOUS DISPERSIONS CONTAINING CATIONIC POLYVINYL ALCOHOL MODIFIED POLYMER PARTICLES AND AQUEOUS ELECTROCOATING MATERIALS CONTAINING SAID DISPERSIONS BASF COATINGS GMBH (DE) 2024-07-11 US disclosed
US-20240199787-A1 METHOD FOR THE PRODUCTION OF AN ISOCYANATE-GROUP TERMINATED POLYOXAZOLIDINONE COMPOSITION COVESTRO DEUTSCHLAND AG (DE) 2024-06-20 US disclosed
US-20240199789-A1 POLYURETHANE FOAM AND CUSHIONING MATERIAL INOAC CORPORATION (JP) 2024-06-20 US disclosed
WO-2024127252-A1 CYCLIC IMIDES AND ADHESIVE COMPOSITIONS INCLUDING THEM 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-06-20 WO disclosed
US-4074007-A Coating composition HOECHST AKTIENGESELLSCHAFT (DT) 1978-02-14 US disclosed
US-4049871-A POLYURETHANE, ALKYD RESIN, POLYISOCYANATE BINDER FUJI PHOTO FILM CO., LTD. (JA) 1977-09-20 US disclosed
US-4032574-A PRODUCTION OF POLYETHERPOLYOLS USEFUL IN PREPARING RIGID POLYURETHANE FOAMS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-06-28 US disclosed
US-4018743-A Process for preparing triketoimidazolidines HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-19 US disclosed
US-3969290-A POLYMERS FROM OXAMIDIC ESTERS, POLYISOCYANATES, AND POLYBASIC CARBOXYLIC ACIDS HOECHST AKTIENGESELLSCHAFT (DT) 1976-07-13 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 (2 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-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds SIRT3, SLC6A12, HCN2 CYP3A4 4039/4885TSHR 4711/4885TRPA1 810/4885
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS SIRT3, SLC6A12, HCN2 CYP3A4 4039/4885TSHR 4711/4885TRPA1 810/4885

“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.