SCHEMBL543165

SCHEMBL543165

O=C=Nc1ccc2c(N=C=O)cccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.49
TRPA1 O75762 1/20 0.49
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 5/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MAOA P21397 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ABCB11 O95342 1/20 0.42
NR3C1 P04150 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ALOX15 P16050 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42
CCR2 P41597 1/20 0.42
ATIC P31939 1/20 0.39

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
SCHEMBL29642626 1.00 CYP3A4 (0.49) CYP3A4TRPA1TDP1MAPK1CYP1A2
SCHEMBL29642545 1.00 CYP3A4 (0.49) CYP3A4TRPA1TDP1MAPK1CYP1A2
SCHEMBL29642695 0.86 CYP3A4 (0.49) CYP3A4TRPA1TDP1MAPK1CYP1A2
SCHEMBL662710 0.86 CYP3A4 (0.49) CYP3A4TRPA1TDP1MAPK1CYP1A2
SCHEMBL9229488 0.83 CYP3A4 (0.54) CYP3A4TRPA1TDP1MAPK1CYP1A2
SCHEMBL9231657 0.81 CYP3A4 (0.45) CYP3A4TRPA1TDP1MAPK1CYP1A2
SCHEMBL9229577 0.81 MAPK1 (0.52) CYP3A4TRPA1TDP1MAPK1CYP1A2
SCHEMBL29642622 0.80 CYP3A4 (0.46) CYP3A4TRPA1TDP1MAPK1CYP1A2
SCHEMBL663309 0.80 CYP3A4 (0.46) CYP3A4TRPA1TDP1MAPK1CYP1A2
SCHEMBL7159782 0.79 MAPK1 (0.50) CYP3A4TRPA1TDP1MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240110002-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD (GB) 2024-04-04 US claimed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 WO claimed
CN-115678395-B High-toughness high-strength polyurea nano-coating 上海涓微新材料科技有限公司 2023-09-26 CN claimed
CN-115678395-A High-toughness and high-strength polyurea nano coating 上海涓微新材料科技有限公司 2023-02-03 CN claimed
US-9371504-B2 Use of acrylate copolymers as soil antiredeposition agents and soil release agents in laundry processes BASF SE (DE) 2016-06-21 US claimed
EP-1409125-B1 MICROENCAPSULATED CATALYST, METHODS OF PREPARATION AND METHODS OF USE THEREOF REAXA LTD (GB) 2016-04-20 EP claimed
CN-104145012-A USE OF ACRYLATE COPOLYMERS AS SOIL ANTIREDEPOSITION AGENTS AND SOIL RELEASE AGENTS IN LAUNDRY PROCESSES BASF SE 2014-11-12 CN claimed
US-20140287974-A1 USE OF ACRYLATE COPOLYMERS AS SOIL ANTIREDEPOSITION AGENTS AND SOIL RELEASE AGENTS IN LAUNDRY PROCESSES BASF SE (DE) 2014-09-25 US claimed
EP-2771446-A1 USE OF ACRYLATE COPOLYMERS AS SOIL ANTIREDEPOSITION AGENTS AND SOIL RELEASE AGENTS IN LAUNDRY PROCESSES BASF SE (DE) 2014-09-03 EP claimed
WO-2013060706-A1 USE OF ACRYLATE COPOLYMERS AS SOIL ANTIREDEPOSITION AGENTS AND SOIL RELEASE AGENTS IN LAUNDRY PROCESSES BASF SE (DE) 2013-05-02 WO claimed
EP-1420012-B1 Process for the preparation of aliphatic isocyanates from aromatic isocyanates DEGUSSA (DE) 2006-11-02 EP claimed
US-6924385-B2 Method for synthesis of aliphatic isocyanates from aromatic isocyanates DEGUSSA AG (DE) 2005-08-02 US claimed
US-20040097752-A1 Method for synthesis of aliphatic isocyanates from aromatic isocyanates DEGUSSA AG (DE) 2004-05-20 US claimed
EP-1420012-A1 Process for the preparation of aliphatic isocyanates from aromatic isocyanates Degussa AG (DE) 2004-05-19 EP claimed
EP-0694532-B1 Perfluoroalkyl sulfide, sulfone, polysulfone and polysulfide diols CIBA SC HOLDING AG (CH) 2000-05-31 EP claimed
US-5708119-A POLYURETHANES FOR WATERPROOFING AND OIL REPELLENTS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-01-13 US claimed
US-5663273-A APPLYING TO IMPART OIL AND WATER REPELLENCY CIBA-GEIGY CORPORATION (US) 1997-09-02 US claimed
EP-0694532-A1 Perfluoroalkyl sulfide, sulfone, polysulfone and polysulfide diols CIBA-GEIGY AG (CH) 1996-01-31 EP claimed
EP-0690039-A2 Poly-perfluoroalkyl-substituted alcohols and acids, and derivatives thereof CIBA-GEIGY AG (CH) 1996-01-03 EP claimed
US-5200493-A Polyurethanes and polythiourethanes; protective coatings; oil repellents; waterproofing; antisoilants CIBA-GEIGY CORPORATION (US) 1993-04-06 US 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 (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-20040097752-A1 Method for synthesis of aliphatic isocyanates from aromatic isocyanates DBI, ALKBH3, ECI1 CYP3A4 32/4885TRPA1 1747/4885TDP1 3074/4885

“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.