SCHEMBL715550

SCHEMBL715550

O=c1ccncn1-c1cccc(S)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
IDO1 P14902 1/20 0.36
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK14 Q16539 1/20 0.32
HCAR1 Q9BXC0 1/20 0.31
MEN1 O00255 1/20 0.31
FGFR1 P11362 1/20 0.30

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
SCHEMBL715549 0.79 CYP3A4 (0.41) CYP3A4CYP2C9IDO1KMT2AALDH1A1
SCHEMBL9827675 0.78 ALDH1A1 (0.46) CYP3A4CYP2C9KMT2AALDH1A1SMN1; SMN2
SCHEMBL26979909 0.78 ALDH1A1 (0.50) ALDH1A1HTTKDM4EFGFR1
SCHEMBL25138280 0.70 IDO1 (0.64) CYP3A4IDO1KMT2AMEN1
SCHEMBL18011080 0.68 MAPT (0.48) CYP3A4CYP2C9KMT2AALDH1A1SMN1; SMN2
SCHEMBL13263859 0.68 IDH1 (0.45) CYP3A4CYP2C9ALDH1A1HTTKDM4E
SCHEMBL22572762 0.66 CRBN (0.65) ALDH1A1SMN1; SMN2HTTKDM4EHCAR1
SCHEMBL27250761 0.66 CYP3A4 (0.36) CYP3A4CYP2C9ALDH1A1KDM4EFGFR1
SCHEMBL5703372 0.65 GABRG2 (0.44) CYP2C9IDO1KMT2ASMN1; SMN2HTT
SCHEMBL31512195 0.65 ACLY (0.35) CYP3A4IDO1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221201-A1 INSECTICIDAL ACTIVE MIXTURES COMPRISING ARYLQUINAZOLINONE COMPOUNDS BASF SE (DE) 2014-08-07 US disclosed
US-20140213445-A1 Use of Pesticidal Active 3-Arylquinazolin-4-One Derivatives in Soil Application Methods BASF SE (DE) 2014-07-31 US disclosed
EP-2750503-A1 INSECTICIDAL ACTIVE MIXTURES COMPRISING ARYLQUINAZOLINONE COMPOUNDS BASF SE (DE) 2014-07-09 EP disclosed
EP-2750506-A2 USE OF PESTICIDAL ACTIVE 3-ARYLQUINAZOLIN-4-ONE DERIVATIVES IN SOIL APPLICATION METHODS BASF SE (DE) 2014-07-09 EP disclosed
EP-2750507-A2 AGRICULTURAL MIXTURES COMPRISING ARYLQUINAZOLINONE COMPOUNDS BASF SE (DE) 2014-07-09 EP disclosed
US-8765774-B2 3-arylquinazolin-4-one compounds for combating invertebrate pests BASF SE (DE) 2014-07-01 US disclosed
EP-2403837-B1 3-ARYLQUINAZOLIN-4-ONE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2013-12-11 EP disclosed
WO-2013030338-A2 AGRICULTURAL MIXTURES COMPRISING ARYLQUINAZOLINONE COMPOUNDS BASF SE (DE) 2013-03-07 WO disclosed
WO-2013030319-A2 USE OF PESTICIDAL ACTIVE 3-ARYLQUINAZOLIN-4-ONE DERIVATIVES IN SOIL APPLICATION METHODS BASF SE (DE) 2013-03-07 WO disclosed
WO-2013030262-A1 INSECTICIDAL ACTIVE MIXTURES COMPRISING ARYLQUINAZOLINONE COMPOUNDS BASF SE (DE) 2013-03-07 WO disclosed
US-20120053052-A1 3-Arylquinazolin-4-one compounds for combating invertebrate pests BASF SE (DE) 2012-03-01 US disclosed
EP-2403837-A1 3-ARYLQUINAZOLIN-4-ONE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2012-01-11 EP disclosed
WO-2010100189-A1 3-ARYLQUINAZOLIN-4-ONE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2010-09-10 WO 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 (3 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-20140221201-A1 INSECTICIDAL ACTIVE MIXTURES COMPRISING ARYLQUINAZOLINONE COMPOUNDS MCU, AGK, NLN CYP3A4 1014/4885CYP2C9 1427/4885IDO1 1505/4885
US-20140213445-A1 Use of Pesticidal Active 3-Arylquinazolin-4-One Derivatives in Soil Application Methods DDT, TYR, DPYSL3 CYP3A4 1719/4885CYP2C9 766/4885IDO1 42/4885
US-20120053052-A1 3-Arylquinazolin-4-one compounds for combating invertebrate pests CBR3, CNPY3, RTN3 CYP3A4 1338/4885CYP2C9 2141/4885IDO1 990/4885

“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.