SCHEMBL6828345

SCHEMBL6828345

[CH2]c1ccc2ccccc2c1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
CYP2A6 P11509 3/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPRT1 P00492 1/20 0.46
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
NCEH1 Q6PIU2 4/20 0.40
CYP1A2 P05177 5/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
PAX8 Q06710 1/20 0.38
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 3/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL16564094 0.75 ALDH1A1 (0.55) POLBALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL1187756 0.75 POLB (0.60) POLBALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL6313330 0.74 GRIN2D (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19NPC1
SCHEMBL5950409 0.71 ALDH1A1 (0.50) POLBALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL1913838 0.71 POLB (0.56) POLBALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL4958788 0.71 CYP2A6 (0.60) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL5252387 0.71 CYP2A6 (0.50) POLBALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL5845986 0.71 PTPN22 (0.60) POLBALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL49630 0.71 POLB (1.00) POLBALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL9720422 0.71 CYP2A6 (0.60) POLBALDH1A1HSD17B10CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658981-A Isatin derivative, pharmaceutically acceptable salt, pharmaceutical composition and application 武汉大学人民医院(湖北省人民医院) 2024-03-08 CN claimed
US-4946858-A ANTIDIABETIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-08-07 US claimed
US-4900739-A ANTIDIABETIC AGENTS AMERICAN HOME PRODUCTS CORP. (US) 1990-02-13 US claimed
CN-117658981-A Isatin derivative, pharmaceutically acceptable salt, pharmaceutical composition and application 武汉大学人民医院(湖北省人民医院) 2024-03-08 CN disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
CN-104884572-B Material for electronic devices 默克专利有限公司 2017-09-19 CN disclosed
CN-104684886-B Compounds for Electronic Devices 默克专利有限公司 2017-07-18 CN disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
EP-2841429-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 US disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
WO-2013162077-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
WO-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
EP-1432718-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2004-06-30 EP disclosed
WO-2003027128-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-04-03 WO disclosed
CN-1268942-A Sulfonamide compounds and medicinal use thereof FUJISAWA PHARMACEUTICAL CO (JP) 2000-10-04 CN disclosed
US-4946858-A ANTIDIABETIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-08-07 US disclosed
US-4900739-A ANTIDIABETIC AGENTS AMERICAN HOME PRODUCTS CORP. (US) 1990-02-13 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-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 POLB 4642/4885ALDH1A1 1716/4885HSD17B10 71/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 POLB 4716/4885ALDH1A1 1594/4885HSD17B10 141/4885

“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.