SCHEMBL667517

SCHEMBL667517

Cc1cc(N=C=O)ccc1-c1ccc(N=C=O)cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.62
TRPA1 O75762 1/20 0.62
TDP1 Q9NUW8 4/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 2/20 0.43
SENP2 Q9HC62 2/20 0.36
SENP1 Q9P0U3 2/20 0.36
SUMO2 P61956 1/20 0.36
SUMO1 P63165 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
CYP1A2 P05177 1/20 0.36
SENP3 Q9H4L4 1/20 0.35
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL8596343 0.92 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL18126138 0.91 CYP3A4 (0.53) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL8596339 0.90 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29808709 0.90 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL543864 0.88 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL8664104 0.86 CYP3A4 (0.49) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL8973448 0.85 CYP3A4 (0.51) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL58809 0.84 CYP3A4 (0.70) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL8589469 0.82 CYP3A4 (0.49) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL2157655 0.81 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR

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 544 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
EP-3362493-B1 THERMOPLASTIC POLYURETHANE MATERIALS FOR FORMING MEDICAL DEVICES BECTON DICKINSON CO (US) 2023-07-12 EP claimed
EP-3966264-A2 TWO-COMPONENT POLYURETHANE ELASTOMER COATING FOR CORROSION AND WEATHERING PROTECTION Construction Research & Technology GmbH (DE) 2022-03-16 EP 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
CN-107429056-B Polyamide-imide resin composition and coating material 昭和电工材料株式会社 2021-06-08 CN claimed
WO-2021094229-A1 POLYSILOXANE-FUNCTIONALIZED POLYURETHANES FOR BOOSTING THE HYDROPHOBICITY OF SURFACES COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-05-20 WO claimed
WO-2020229229-A2 TWO-COMPONENT POLYURETHANE ELASTOMER COATING FOR CORROSION AND WEATHERING PROTECTION CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2020-11-19 WO claimed
EP-3362493-A1 THERMOPLASTIC POLYURETHANE MATERIALS FOR FORMING MEDICAL DEVICES Becton, Dickinson and Company (US) 2018-08-22 EP claimed
WO-2017066381-A1 THERMOPLASTIC POLYURETHANE MATERIALS FOR FORMING MEDICAL DEVICES BECTON, DICKINSON AND COMPANY (US) 2017-04-20 WO claimed
US-5159050-A Protonation; complexed with anticoagulant BECTON, DICKINSON AND COMPANY (US) 1992-10-27 US claimed
US-5159051-A Tertiary amines in polymer chain; complexes; antithrombogenic agents BECTON, DICKINSON AND COMPANY (US) 1992-10-27 US claimed
EP-0507727-A2 Glass coating with improved adhesion and weather resistance CIBA-GEIGY AG (CH) 1992-10-07 EP claimed
EP-0493320-A2 Fluorine and/or Silicone containing poly(alkylene-oxide)-block copolymer hydrogels and contact lenses thereof CIBA-GEIGY AG (CH) 1992-07-01 EP claimed
US-5115056-A FLUORINE AND/OR SILICONE CONTAINING POLY(ALKYLENE-OXIDE)-BLOCK COPOLYMERS AND CONTACT LENSES THEREOF CIBA-GEIGY CORPORATION (US) 1992-05-19 US claimed
US-5102918-A Storage stability; smokeless foam NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) 1992-04-07 US claimed
EP-0455585-A1 Unsaturated urea polysiloxanes CIBA-GEIGY AG (CH) 1991-11-06 EP claimed
US-4983702-A Crosslinked siloxane-urethane polymer contact lens CIBA-GEIGY CORPORATION (US) 1991-01-08 US claimed
EP-0406161-A2 Fluorine and/or silicone containing poly(alkylene-oxide)-block copolymers and contact lenses thereof CIBA-GEIGY AG (CH) 1991-01-02 EP claimed
EP-0362145-A2 Crosslinked siloxane-urethane polymer contact lens CIBA-GEIGY AG (CH) 1990-04-04 EP claimed

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 4039/4885TRPA1 810/4885TDP1 2455/4885
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS SIRT3, SLC6A12, HCN2 CYP3A4 4039/4885TRPA1 810/4885TDP1 2455/4885

“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.