SCHEMBL59005

SCHEMBL59005

O=C=Nc1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 3/20 0.42
TRPA1 O75762 1/20 0.42
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
PARP1 P09874 1/20 0.36
IDO1 P14902 3/20 0.36
TDO2 P48775 2/20 0.36
PTGES O14684 1/20 0.35
KDM1A O60341 1/20 0.34
MGLL Q99685 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7727468 0.89 KMT2A (0.39) MAPK1TDP1ALDH1A1CYP3A4TRPA1
SCHEMBL8943320 0.86 CYP3A4 (0.42) MAPK1TDP1ALDH1A1CYP3A4TRPA1
SCHEMBL10615043 0.84 TDP1 (0.54) MAPK1TDP1ALDH1A1CYP3A4TRPA1
SCHEMBL27873 0.84 TDP1 (0.54) MAPK1TDP1ALDH1A1CYP3A4TRPA1
SCHEMBL27621561 0.81 TDP1 (0.52) MAPK1TDP1ALDH1A1CYP3A4TRPA1
SCHEMBL8675665 0.81 GABRA1 (0.46) MAPK1TDP1ALDH1A1CYP3A4TRPA1
Ethylene SCHEMBL10425506 0.79 TDP1 (0.50) MAPK1TDP1ALDH1A1CYP3A4TRPA1
SCHEMBL7172271 0.79 ALDH1A1 (0.46) MAPK1TDP1ALDH1A1MEN1KMT2A
SCHEMBL30102043 0.79 ALDH1A1 (0.46) MAPK1TDP1ALDH1A1MEN1KMT2A
SCHEMBL7172274 0.79 ALDH1A1 (0.46) MAPK1TDP1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240154124-A1 NEGATIVE ELECTRODE PLATE AND LITHIUM-ION BATTERY COMPRISING SAME ZHUHAI COSMX BATTERY CO., LTD. (CN) 2024-05-09 US claimed
CN-111471171-B Arylsulfonic acid intermediate, preparation method thereof and application of aryl sulfonic acid intermediate in synthesizing low-temperature-sensitivity additive for concrete 江苏苏博特新材料股份有限公司 2023-07-18 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
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-112961081-B Bibenzamide urea compound and preparation method and application thereof 山东第一医科大学(山东省医学科学院) 2022-09-13 CN claimed
CN-110483569-B Polycarbonate antioxidant, preparation method and polycarbonate composition 万华化学集团股份有限公司 2022-02-18 CN claimed
CN-112961081-A Bibenzamide urea compound and preparation method and application thereof 山东第一医科大学(山东省医学科学院) 2021-06-15 CN claimed
CN-107304214-B Water-soluble ginkgolide B carbamate derivative and preparation method and application thereof 浙江康恩贝制药股份有限公司 2021-04-06 CN claimed
CN-111471171-A Aryl sulfonic acid intermediate, preparation method thereof and application thereof in synthesizing low-temperature-sensitivity additive for concrete 江苏苏博特新材料股份有限公司 2020-07-31 CN claimed
CN-107176925-B Synthesis method of polysubstituted imidazoline-2, 4-diketone compound 湖北科技学院 2020-04-28 CN claimed
CN-107176925-A A kind of synthetic method of the cyclohexadione compounds of polysubstituted imidazoline 2,4 湖北科技学院 2017-09-19 CN claimed
US-8222314-B2 Phenyl isocyanate-based urethane acrylates, processes for producing and methods of using the same BAYER MATERIALSCIENCE AG (DE) 2012-07-17 US claimed
CN-101704773-A Phenyl isocyanate-based urethane acrylates, processes for making and methods of using the same BAYER MATERIALSCIENCE AG 2010-05-12 CN claimed
EP-2154128-A1 Phenylisocyanate based urethanacrylates with high refraction index Bayer MaterialScience AG (DE) 2010-02-17 EP claimed
EP-2154129-A1 Phenylisocyanate based urethanacrylate with high refraction index Bayer MaterialScience AG (DE) 2010-02-17 EP claimed
US-20100036013-A1 PHENYL ISOCYANATE-BASED URETHANE ACRYLATES, PROCESSES FOR PRODUCING AND METHODS OF USING THE SAME BAYER MATERIALSCIENCE AG (DE) 2010-02-11 US claimed
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-20260146238-A1 UREA-BASED ICE RECRYSTALLIZATION INHIBITOR COMPOUNDS AND COMPOSITIONS, AND USES THEREOF FOR CRYOPRESERVATION PanTHERA CryoSolutions Inc. (CA) 2026-05-28 US disclosed
US-3951976-A 1-Thiadiazoly-6-carbamoyloxytetrahydropyrimidinones VELSICOL CHEMICAL CORPORATION (US) 1976-04-20 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-20260146238-A1 UREA-BASED ICE RECRYSTALLIZATION INHIBITOR COMPOUNDS AND COMPOSITIONS, AND USES THEREOF FOR CRYOPRESERVATION RCC1, HNRNPC, CPT1A MAPK1 1473/4885TDP1 518/4885ALDH1A1 49/4885
US-20100036013-A1 PHENYL ISOCYANATE-BASED URETHANE ACRYLATES, PROCESSES FOR PRODUCING AND METHODS OF USING THE SAME GRHPR, CBR1, C1S MAPK1 681/4885TDP1 1202/4885ALDH1A1 698/4885

“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.