SCHEMBL3239509

SCHEMBL3239509

O=c1[nH]nnn1-c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
MGLL Q99685 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
NOTUM Q6P988 1/20 0.44
FLT3 P36888 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ALOX5 P09917 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR2A P28223 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
SCHEMBL16490972 0.85 KDM4E (0.35) IDO1TDO2MGLLKDM4EGAA
SCHEMBL5906130 0.82 NPSR1 (0.35) NOTUMADRB1
SCHEMBL18849418 0.81 CYP1A2 (0.32) IDO1TDO2CYP1A2CYP3A4HTT
SCHEMBL22564074 0.81 MGLL (0.46) MGLLALDH1A1ALOX5
SCHEMBL1250717 0.81 MEN1 (0.46) IDO1TDO2MGLLKDM4EGAA
SCHEMBL17938253 0.81 TSHR (0.44) KDM4EALDH1A1CYP3A4
SCHEMBL16297129 0.81 IDO1 (0.47) IDO1TDO2MGLLGAAALDH1A1
SCHEMBL5905967 0.81 CYP1A2 (0.48) IDO1TDO2MGLLGAAALDH1A1
SCHEMBL18503917 0.81 FAAH (0.46) MGLLCYP1A2CYP3A4HTT
SCHEMBL5905977 0.80 GAA (0.42) IDO1TDO2MGLLGAANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
US-10450280-B2 Tetrazolones as a carboxylic acid bioisosteres RIGEL PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
EP-3250565-B1 TETRAZOLONES AS CARBOXYLIC ACID BIOISOSTERES RIGEL PHARMACEUTICALS INC (US) 2019-07-03 EP disclosed
US-20180002297-A1 Tetrazolones as a Carboxylic Acid Bioisosteres MIDCAP FINANCIAL TRUST 2018-01-04 US disclosed
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP disclosed
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP disclosed
US-9701647-B2 Tetrazolones as a carboxylic acid bioisosteres RIGEL PHARMACEUTICALS, INC. (US) 2017-07-11 US disclosed
US-9701647-B2 Tetrazolones as a carboxylic acid bioisosteres RIGEL PHARMACEUTICALS, INC. (US) 2017-07-11 US disclosed
US-20170129862-A1 Tetrazolones as a Carboxylic Acid Bioisosteres MIDCAP FINANCIAL TRUST 2017-05-11 US disclosed
US-20170129862-A1 Tetrazolones as a Carboxylic Acid Bioisosteres MIDCAP FINANCIAL TRUST 2017-05-11 US disclosed
US-20060223872-A1 Insecticidal phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-10-05 US disclosed
WO-2005112941-A2 SUBSTITUTED CYCLIC UREA DERIVATIVES BAYER CROPSCIENCE AG (DE) 2005-12-01 WO disclosed
US-5767286-A REACTING A TETRAZOLINONE WITH A CARBAMOYL CHLORIDE IN THE PRESENCE OF 4-DIMETHYLAMINOPYRIDINE NIHON BAYER AGROCHEM K. K. (JP) 1998-06-16 US disclosed
EP-0646577-B1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1998-06-03 EP disclosed
EP-0643049-B1 A process for the preparation of 1-substituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1997-05-14 EP disclosed
US-5502204-A REACTING WITH ETHYLENE OXIDE DERIVATIVE NIHON BAYER AGROCHEM K.K. (JP) 1996-03-26 US disclosed
CN-1104639-A A process for the preparation of 1-substituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1995-07-05 CN disclosed
CN-1102183-A Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1995-05-03 CN disclosed
EP-0646577-A1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-04-05 EP disclosed
EP-0643049-A1 A process for the preparation of 1-substituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-03-15 EP 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 (4 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-10450280-B2 Tetrazolones as a carboxylic acid bioisosteres GLS, CYP11B2, GLS2 IDO1 4175/4885TDO2 1366/4885MGLL 3104/4885
US-20170129862-A1 Tetrazolones as a Carboxylic Acid Bioisosteres GLS, CYP11B2, GLS2 IDO1 4175/4885TDO2 1366/4885MGLL 3104/4885
US-20060223872-A1 Insecticidal phthalamide derivatives CRYAA, PRXL2A, H1-2 IDO1 1801/4885TDO2 4528/4885MGLL 2851/4885
US-20180002297-A1 Tetrazolones as a Carboxylic Acid Bioisosteres GLS, CYP11B2, GLS2 IDO1 4175/4885TDO2 1366/4885MGLL 3104/4885

“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.