SCHEMBL8686267

SCHEMBL8686267

O=c1[nH]nnn1-c1ccc(Cl)nc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
POLB P06746 1/20 0.43
CHRNB4 P30926 6/20 0.41
CHRNA3 P32297 6/20 0.41
CHRNB2 P17787 7/20 0.40
CHRNA4 P43681 7/20 0.40

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
SCHEMBL5905977 0.79 GAA (0.42) IDO1TDO2POLB
SCHEMBL8691281 0.75 CYP17A1 (0.34)
SCHEMBL5906345 0.75 GAA (0.47) IDO1TDO2
SCHEMBL8686281 0.74 KDM4E (0.30)
SCHEMBL5906130 0.73 NPSR1 (0.35)
SCHEMBL5906067 0.72 IDO1 (0.41) IDO1TDO2
SCHEMBL5906174 0.72 NPC1 (0.42) POLB
SCHEMBL5906191 0.72 ALDH1A1 (0.42)
SCHEMBL5906077 0.71 TDP1 (0.51)
SCHEMBL8814485 0.71 CYP11B2 (0.45) IDO1TDO2POLBCHRNB4CHRNA3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US disclosed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US disclosed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US disclosed
WO-2014198592-A1 NOVEL TETRAZOLONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-18 WO disclosed
CN-1047777-C Pyridyl tetrazolinone derivatives, and preparation method, composition and application thereof BAYER AGROCHEM KK (JP) 1999-12-29 CN disclosed
CN-1224014-A Pyridyltetrazolinone derivatives BAYER AGROCHEM KK (JP) 1999-07-28 CN disclosed
US-5710278-A Herbicidal 1-pyridyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1998-01-20 US disclosed
US-5641727-A Herbicidal 1-pyridyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1997-06-24 US disclosed
CN-1121918-A 1-pyridyltetrazolinone derivatives BAYER AGROCHEM KK (JP) 1996-05-08 CN disclosed
EP-0692482-A2 1-pyridyltetrazolinone derivatives NIHON BAYER AGROCHEM K.K. (JP) 1996-01-17 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 (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-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES TBXA2R, CYP11B2, NR1I2 IDO1 1212/4885TDO2 212/4885POLB 4244/4885

“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.