SCHEMBL77114

SCHEMBL77114

COc1ccccc1N=C=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
TDP1 Q9NUW8 3/20 0.61
CYP3A4 P08684 2/20 0.61
HPGD P15428 2/20 0.61
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA14 Q9ULX7 1/20 0.48
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41

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
SCHEMBL29471398 1.00 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4HPGDCA1
SCHEMBL9795424 0.88 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4HPGDCA1
SCHEMBL7529762 0.87 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4HPGDCA1
SCHEMBL8943270 0.84 CYP3A4 (0.50) ALDH1A1TDP1CYP3A4HPGDKMT2A
SCHEMBL29031306 0.83 CYP3A4 (0.45) ALDH1A1TDP1CYP3A4HPGDCA1
SCHEMBL1417851 0.83 CA1 (0.52) ALDH1A1TDP1CYP3A4HPGDCA1
SCHEMBL29369823 0.83 CYP3A4 (0.50) ALDH1A1TDP1CYP3A4HPGDTSHR
SCHEMBL1356140 0.83 CYP3A4 (0.50) ALDH1A1TDP1CYP3A4HPGDTSHR
SCHEMBL1332133 0.82 CYP3A4 (0.57) ALDH1A1TDP1CYP3A4HPGDCA1
SCHEMBL4726617 0.82 CYP3A4 (0.68) ALDH1A1TDP1CYP3A4HPGDCA1

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 1225 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528777-B2 Quinazolinones derivatives for treatment of non-alcoholic fatty liver disease, preparation and use thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2026-01-20 US claimed
CN-118271131-B Self-repairing modified lignin-based polyester polyol coating material and preparation method thereof 山东农业大学 2025-04-04 CN claimed
CN-118271131-A Self-repairing modified lignin-based polyester polyol coating material and preparation method thereof 山东农业大学 2024-07-02 CN claimed
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US claimed
CN-114195671-B Asymmetric malonyl aniline compound and synthesis method thereof 河南师范大学 2023-09-22 CN claimed
CN-116525948-A Method for inhibiting corrosion of aluminum foil of lithium battery current collector based on isocyanate additive 临沂大学 2023-08-01 CN claimed
CN-115385973-B Application of oligonucleotide-tetrahydrothiazole compounds in synthesis of gene coding compound library 康龙化成(宁波)科技发展有限公司 2023-06-06 CN claimed
EP-4171569-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF Council of Scientific & Industrial Research (IN) 2023-05-03 EP claimed
CN-115385973-A Application of oligo-nucleic acid-thiazolidine compound in synthesis of gene coding compound library 康龙化成(宁波)科技发展有限公司 2022-11-25 CN claimed
CN-114195671-A Asymmetric malonanilide compound and synthesis method thereof 河南师范大学 2022-03-18 CN claimed
US-20070123642-A1 Phase change inks containing curable isocyanate-derived compounds XEROX CORPORATION 2007-05-31 US claimed
US-20070120909-A1 Phase change inks containing curable isocyanate-derived compounds and phase change inducing components XEROX CORPORATION 2007-05-31 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-1370910-A4 THERMOSETTING ANTI-REFLECTIVE COATINGS COMPRISING ARYL URETHANES OF HYDROXYPROPYL CELLULOSE BREWER SCIENCE INC (US) 2004-09-15 EP claimed
EP-1370910-A1 THERMOSETTING ANTI-REFLECTIVE COATINGS COMPRISING ARYL URETHANES OF HYDROXYPROPYL CELLULOSE Brewer Science, Inc. (US) 2003-12-17 EP claimed
US-6576408-B2 Made by reacting a hydroxyalkyl cellulose with an aryl isocyanate such as phenyl isocyanate; coatings have high etch rate and optical density BREWER SCIENCE, INC. 2003-06-10 US claimed
WO-2002071155-A1 THERMOSETTING ANTI-REFLECTIVE COATINGS COMPRISING ARYL URETHANES OF HYDROXYPROPYL CELLULOSE BREWER SCIENCE, INC. (US) 2002-09-12 WO claimed
US-20010031428-A1 Made by reacting a hydroxyalkyl cellulose with an aryl isocyanate such as phenyl isocyanate; coatings have high etch rate and optical density ARMY, SECRETARY OF THE 2001-10-18 US claimed
US-5229243-A Addition polymer core, polyurethane or polythiourethane shell KAO CORPORATION (JP) 1993-07-20 US claimed
US-4578514-A Synthesis of sulfilimines MONSANTO COMPANY (US) 1986-03-25 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 (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-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF ATG7, GOT1, LIPC ALDH1A1 295/4885TDP1 985/4885CYP3A4 433/4885
US-12528777-B2 Quinazolinones derivatives for treatment of non-alcoholic fatty liver disease, preparation and use thereof ATG7, GOT1, ULK1 ALDH1A1 601/4885TDP1 1533/4885CYP3A4 947/4885

“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.