SCHEMBL1712846

SCHEMBL1712846

Cc1cc(N=C=O)c(C)c(C)c1N=C=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
TRPA1 O75762 1/20 0.46
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3685073 0.88 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL3677882 0.88 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL3676678 0.85 CYP3A4 (0.48) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL7592953 0.83 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL2341640 0.83 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL16707385 0.83 CYP3A4 (0.40) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL7746199 0.83 CYP3A4 (0.50) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL23883401 0.82 CYP3A4 (0.42) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL19138736 0.82 CYP3A4 (0.42) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL441816 0.82 CYP3A4 (0.43) CYP3A4TRPA1GABRA1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018130412-A1 POLYURETHANE BEING SUITABLE AS BINDER FOR A MODULAR PRINTING INK SYSTEM HUBERGROUP ITALIA (IT) 2018-07-19 WO claimed
EP-3310166-A1 PENDIMETHANLIN MICROCAPSULES WITH A SHELL MADE OF TETRAMETHYLXYLYLENE DIISOCYANATE AND A POL-YAMINE WITH AT LEAST THREE AMINE GROUPS BASF SE (DE) 2018-04-25 EP claimed
WO-2016202659-A1 PENDIMETHANLIN MICROCAPSULES WITH A SHELL MADE OF TETRAMETHYLXYLYLENE DIISOCYANATE AND A POL-YAMINE WITH AT LEAST THREE AMINE GROUPS BASF SE (DE) 2016-12-22 WO claimed
EP-2344112-A1 SUNSCREEN AND PERSONAL CARE COMPOSITIONS COMPRISING A RANDOM TERPOLYMER BASF SE (DE) 2011-07-20 EP claimed
WO-2010043588-A1 SUNSCREEN AND PERSONAL CARE COMPOSITIONS COMPRISING A RANDOM TERPOLYMER BASF SE (DE) 2010-04-22 WO claimed
EP-0799843-B1 Polyurethane resins containing carbodiimide bonds NISSHIN SPINNING (JP) 2003-06-04 EP claimed
US-4880891-A A,A,A*,A*-TETRAMETHYL-XYLYLENE DIISOCYANATE, 4,4*-METHYLENE BIS(CYCLOHEXYLISOCYANATE) AND POLYESTERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US claimed
EP-0237997-A1 Thermosetting resins and electrodeposition coating compositions containing the same Takeda Chemical Industries, Ltd. (JP) 1987-09-23 EP claimed
EP-4346771-B1 NANOTECHNOLOGICAL PLATFORM BASED ON POLYURETHANE/POLYUREA CHEMISTRY TO FURNISH WATER-OIL-WATER MULTI WALLED AND FUNCTIONALIZABLE NANOCAPSULES AND LIPOSOMES AND THEIR PREPARATION PROCESS ECOPOL TECH S L (ES) 2025-11-19 EP disclosed
WO-2025233332-A1 PROCESS FOR PREPARING A POLYCARBODIIMIDE COMPOSITION USING DIMETHYLPHOSPHOLENE OXIDE AS CATALYST BASF SE (DE) 2025-11-13 WO disclosed
WO-2025053918-A1 POLYURETHANE FLEXURE-ELONGATED COMPOSITE SPOKE BONDED COMBINATION FOR NON-PNEUMATIC TIRE AND METHODS OF PRODUCING SAME BRIDGESTONE AMERICAS TIRE OPERATIONS, LLC (US) 2025-03-13 WO disclosed
US-20240277617-A1 NANOTECHNOLOGICAL PLATFORM BASED ON POLYURETHANE/POLYUREA CHEMISTRY TO FURNISH WATER-OIL-WATER MULTI WALLED AND FUNCTIONALIZABLE NANOCAPSULES AND THEIR PREPARATION PROCESS ECOPOL TECH S.L. (ES) 2024-08-22 US disclosed
WO-2024094666-A1 METHOD FOR PREPARING POLYCARBAMYLATED COMPOUNDS FROM POLYURETHANE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-05-10 WO disclosed
EP-4346771-A1 NANOTECHNOLOGICAL PLATFORM BASED ON POLYURETHANE/POLYUREA CHEMISTRY TO FURNISH WATER-OIL-WATER MULTI WALLED AND FUNCTIONALIZABLE NANOCAPSULES AND THEIR PREPARATION PROCESS Ecopol Tech, S.L. (ES) 2024-04-10 EP disclosed
WO-2001057107-A1 LOW MONOMER FOAM BAXENDEN CHEMICALS LIMITED (GB) 2001-08-09 WO disclosed
US-5626917-A LACQUERS WITH POLYURETHANE GROUPS, ESTERS IN SOLVENTS HERBERTS GMBH (DE) 1997-05-06 US disclosed
EP-0421393-A2 Resin, compositions, shaped articles, and methods for manufacture Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP disclosed
EP-0403779-A2 Curable powder coating compositions containing caprolactam-blocked isocyanates CYTEC TECHNOLOGY CORP. (US) 1990-12-27 EP disclosed
EP-0237997-A1 Thermosetting resins and electrodeposition coating compositions containing the same Takeda Chemical Industries, Ltd. (JP) 1987-09-23 EP disclosed
EP-0150330-A2 Storage stable, one package, heat curable poly urea/urethane coating compositions AMERICAN CYANAMID COMPANY (US) 1985-08-07 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-20240277617-A1 NANOTECHNOLOGICAL PLATFORM BASED ON POLYURETHANE/POLYUREA CHEMISTRY TO FURNISH WATER-OIL-WATER MULTI WALLED AND FUNCTIONALIZABLE NANOCAPSULES AND THEIR PREPARATION PROCESS LIPA, PUF60, PHOSPHO1 CYP3A4 3936/4885TRPA1 3933/4885GABRA1 2655/4885

“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.