SCHEMBL93220

SCHEMBL93220

O=C=Nc1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
TRPA1 O75762 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
RAB9A P51151 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
PMM2 O15305 1/20 0.35
MPI P34949 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 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
SCHEMBL29463737 1.00 CYP3A4 (0.52) CYP3A4IDO1TDO2TRPA1MEN1
SCHEMBL8101565 0.88 CYP3A4 (0.42) CYP3A4IDO1TDO2TRPA1MEN1
SCHEMBL17847475 0.83 CYP3A4 (0.45) CYP3A4IDO1TDO2TRPA1MEN1
SCHEMBL8943320 0.82 CYP3A4 (0.42) CYP3A4IDO1TDO2TRPA1MEN1
SCHEMBL15431 0.82 CYP3A4 (0.64) CYP3A4TRPA1MEN1KMT2ANPC1
SCHEMBL29395383 0.82 CYP3A4 (0.64) CYP3A4TRPA1MEN1KMT2ANPC1
SCHEMBL2169198 0.80 CYP3A4 (0.52) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL11436625 0.80 MEN1 (0.42) CYP3A4IDO1TDO2MEN1KMT2A
Water SCHEMBL28526910 0.79 CYP3A4 (0.61) CYP3A4TRPA1MEN1KMT2ANPC1
SCHEMBL30244709 0.79 CYP3A4 (0.61) CYP3A4TRPA1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-111100732-B Soap urethane lubricating grease and preparation method thereof 中国石油化工股份有限公司 2022-10-21 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-111100732-A Soap urethane lubricating grease and preparation method thereof 中国石油化工股份有限公司 2020-05-05 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
CN-105153317-A Synthetic method for cellulose derivative with large volume liquid crystal unit side group UNIV HARBIN ENG 2015-12-16 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-2154129-A1 Phenylisocyanate based urethanacrylate with high refraction index Bayer MaterialScience AG (DE) 2010-02-17 EP claimed
EP-2154128-A1 Phenylisocyanate based urethanacrylates 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
US-20090216006-A1 COVALENTLY BOUND POLYSACCHARIDE-BASED CHIRAL STATIONARY PHASES AND METHOD FOR THEIR PREPARATION XU HUI 2009-08-27 US claimed
EP-1425277-B1 UREA-COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN SMITHKLINE BEECHAM PLC (GB) 2009-01-07 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
CN-122079899-A Application of pharmaceutical composition in preparation of medicines for preventing or treating diseases related to Sirttail 7 protein 2026-05-26 CN disclosed
US-3966683-A Process for the preparation of compounds which contain hydantoin groups BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 US disclosed
US-3956237-A HINDERED UREA OR THIOUREA THE DOW CHEMICAL COMPANY (US) 1976-05-11 US disclosed
US-3939122-A Process for the preparation of compounds which contain hydantoin rings BAYER AKTIENGESELLSCHAFT (DT) 1976-02-17 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 CYP3A4 1007/4885IDO1 1607/4885TDO2 4082/4885
US-20100036013-A1 PHENYL ISOCYANATE-BASED URETHANE ACRYLATES, PROCESSES FOR PRODUCING AND METHODS OF USING THE SAME GRHPR, CBR1, C1S CYP3A4 783/4885IDO1 2439/4885TDO2 479/4885

“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.