SCHEMBL3086920

SCHEMBL3086920

[CH2]Cc1ccc(OC)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.46
HTR2A P28223 3/20 0.46
KCNH2 Q12809 2/20 0.46
APLNR P35414 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HTR1A P08908 1/20 0.40
GFER P55789 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ADRA1A P35348 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL11476835 0.84 SLC6A4 (0.46) SLC6A4HTR2AKCNH2APLNRSLC6A2
SCHEMBL4510419 0.82 ALDH1A1 (0.53) SLC6A4HTR2AKCNH2APLNRSLC6A2
SCHEMBL8340513 0.82 SLC6A4 (0.47) SLC6A4HTR2AKCNH2APLNRSLC6A2
SCHEMBL2430164 0.80 HTR2B (0.49) SLC6A4HTR2AKCNH2APLNRSLC6A2
SCHEMBL473882 0.80 SLC6A4 (0.46) SLC6A4HTR2AKCNH2APLNRSLC6A2
SCHEMBL19534980 0.80 SLC6A4 (0.46) SLC6A4HTR2AKCNH2APLNRSLC6A2
SCHEMBL5975064 0.80 IDO1 (0.55) SLC6A4HTR2AKCNH2APLNRSLC6A2
SCHEMBL12879014 0.80 SLC6A4 (0.46) SLC6A4HTR2AKCNH2APLNRSLC6A2
SCHEMBL7667135 0.80 SLC6A4 (0.46) SLC6A4HTR2AKCNH2APLNRSLC6A2
SCHEMBL5753110 0.80 ALDH1A1 (0.54) SLC6A4HTR2AKCNH2APLNRSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 US claimed
EP-1686996-A4 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 EP claimed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US claimed
JP-2007511612-A 2007-05-10 JP claimed
CN-1901916-A Quinazolinone compounds with reduced in vivo accumulation CHIRON CORP (US) 2007-01-24 CN claimed
EP-1686996-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2006-08-09 EP claimed
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION GLAXOSMITHKLINE 2005-09-01 US claimed
WO-2005051391-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2005-06-09 WO claimed
US-20100234220-A1 Oxooxetanes as Fungicidal Agents BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
EP-1686996-A4 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 EP disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
CN-1901916-A Quinazolinone compounds with reduced in vivo accumulation CHIRON CORP (US) 2007-01-24 CN disclosed
EP-1651229-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS Chiron Corporation (US) 2006-05-03 EP disclosed
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION GLAXOSMITHKLINE 2005-09-01 US disclosed
WO-2005051391-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2005-06-09 WO disclosed
US-20050059662-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2005-03-17 US disclosed
WO-2004112793-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-12-29 WO disclosed
US-4159271-A CYCLIZATION OF A 2-HALOGENOPHENETHYLAMINE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1979-06-26 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 (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-20050059662-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R SLC6A4 248/4885HTR2A 155/4885KCNH2 1118/4885
US-20100234220-A1 Oxooxetanes as Fungicidal Agents CYP51A1, PNPO, AOX1 SLC6A4 3707/4885HTR2A 4715/4885KCNH2 1671/4885
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R SLC6A4 177/4885HTR2A 145/4885KCNH2 918/4885
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R SLC6A4 30/4885HTR2A 112/4885KCNH2 982/4885

“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.