SCHEMBL5905967

SCHEMBL5905967

Cc1cccc(-n2nn[nH]c2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 2/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47
HSP90AA1 P07900 1/20 0.46
MGLL Q99685 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
ALOX5 P09917 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL16490973 0.84 CYP1A2 (0.35) CYP1A2POLBCYP3A4MAPTLMNA
SCHEMBL8599564 0.82 HSP90AA1 (0.39) CYP1A2POLBMAPTLMNAALDH1A1
SCHEMBL3239509 0.81 IDO1 (0.46) CYP1A2CYP3A4TP53ALDH1A1IDO1
SCHEMBL18504147 0.81 CYP1A2 (0.56) CYP1A2MAPTLMNATP53L3MBTL1
SCHEMBL18503917 0.80 FAAH (0.46) CYP1A2POLBCYP3A4MGLL
SCHEMBL16297129 0.80 IDO1 (0.47) POLBMAPTL3MBTL1ALDH1A1IDO1
SCHEMBL18849418 0.80 CYP1A2 (0.32) CYP1A2POLBCYP3A4L3MBTL1IDO1
SCHEMBL22564074 0.80 MGLL (0.46) L3MBTL1ALDH1A1MGLLNPBWR1ALOX5
SCHEMBL17938253 0.80 TSHR (0.44) CYP3A4MAPTALDH1A1
SCHEMBL18504537 0.80 CTSK (0.42) CYP3A4MAPTTP53ALDH1A1NPBWR1

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 19 patents. 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-20180002297-A1 Tetrazolones as a Carboxylic Acid Bioisosteres MIDCAP FINANCIAL TRUST 2018-01-04 US disclosed
EP-2833889-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2017-11-01 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-9682976-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-20170129862-A1 Tetrazolones as a Carboxylic Acid Bioisosteres MIDCAP FINANCIAL TRUST 2017-05-11 US disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-9439888-B2 Tetrazolones as a carboxylic acid bioisosteres RIGEL PHARMACEUTICALS, INC. (US) 2016-09-13 US disclosed
US-20160213648-A1 Tetrazolones as a Carboxylic Acid Bioisosteres MIDCAP FINANCIAL TRUST 2016-07-28 US disclosed
US-9321763-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
WO-2013152198-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2013-10-10 WO disclosed
US-20060223872-A1 Insecticidal phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-10-05 US 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
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-20170129862-A1 Tetrazolones as a Carboxylic Acid Bioisosteres GLS, CYP11B2, GLS2 CYP1A2 429/4885POLB 2144/4885CYP3A4 386/4885
US-20060223872-A1 Insecticidal phthalamide derivatives CRYAA, PRXL2A, H1-2 CYP1A2 607/4885POLB 4402/4885CYP3A4 2896/4885
US-20160213648-A1 Tetrazolones as a Carboxylic Acid Bioisosteres GLS, CYP11B2, GLS2 CYP1A2 429/4885POLB 2144/4885CYP3A4 386/4885
US-20180002297-A1 Tetrazolones as a Carboxylic Acid Bioisosteres GLS, CYP11B2, GLS2 CYP1A2 429/4885POLB 2144/4885CYP3A4 386/4885

“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.