SCHEMBL1248288

SCHEMBL1248288

NCc1ccccc1C=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.50
TRPA1 O75762 2/20 0.50
MAOB P27338 3/20 0.45
CYP19A1 P11511 2/20 0.45
MAOA P21397 2/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
CHAT P28329 1/20 0.45
DPP4 P27487 1/20 0.42
DHFR P00374 1/20 0.40
PNMT P11086 1/20 0.40
IDO1 P14902 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL20124829 1.00 NFE2L2 (0.50) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL27969283 1.00 NFE2L2 (0.50) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL27978369 0.86 LOXL2 (0.41) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL28130350 0.86 LOXL2 (0.41) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL10765758 0.84 NFE2L2 (0.52) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL10765753 0.84 NFE2L2 (0.52) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL27978430 0.82 LOXL2 (0.42) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL27969100 0.82 LOXL2 (0.42) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL10761271 0.81 NFE2L2 (0.48) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL10761275 0.81 NFE2L2 (0.48) NFE2L2TRPA1MAOBCYP19A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102061161-A Gadolinium-doped liquid scintillator INST HIGH ENERGY PHYSICS CAS 2011-05-18 CN claimed
EP-1904069-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2018-06-13 EP disclosed
CN-103947031-B Organic electrolyte and organic electrolyte secondary battery 吉坤日矿日石能源株式会社 2017-07-11 CN disclosed
US-9403776-B2 Aryl- and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2016-08-02 US disclosed
US-20140296514-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2014-10-02 US disclosed
CN-102203100-B Cephalosporin with catechol group SHIONOGI & CO 2014-08-27 CN disclosed
US-8791101-B2 Aryl- and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2014-07-29 US disclosed
CN-103947031-A Organic electrolyte and organic electrolyte secondary battery JX NIPPON OIL & ENERGY CORP 2014-07-23 CN disclosed
CN-102918048-A Cephem compounds having catechol group SHIONOGI & CO 2013-02-06 CN disclosed
CN-102918047-A Cephem compound having pseudo-catechol group SHIONOGI & CO 2013-02-06 CN disclosed
WO-2007011820-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2007-01-25 WO disclosed
CN-1333776-A Imidazo [4, 5-b ] pyridiniummethyl-containing cephem compounds having broad-spectrum antibacterial activity SHIONOGI & CO (JP) 2002-01-30 CN disclosed
CN-1030656-C Process of producing sulfonylureas TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-01-10 CN disclosed
CN-1029405-C Lipid A analogs having immunoactivating and anti-tumor activity SANKYO CO (JP) 1995-08-02 CN disclosed
CN-1018643-B Process for producing sulfonylurea compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1992-10-14 CN disclosed
CN-1052481-A Lipoid category-A with immunocompetence and anti-tumor activity is like thing SANKYO CO (JP) 1991-06-26 CN disclosed
CN-1032010-A The method for preparing sulfonyl urea derivates TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1989-03-29 CN disclosed
CN-87102123-A Sulfonylurea compounds, their preparation and their use as herbicides 1987-10-21 CN disclosed
CN-85105299-A The preparation method of cephem compounds 1987-01-07 CN disclosed
CN-85105797-A The preparation of antimicrobial compounds 1986-08-27 CN 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 (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-20140296514-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B NFE2L2 1739/4885TRPA1 1376/4885MAOB 5/4885

“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.