SCHEMBL3319231

SCHEMBL3319231

C[CH]c1ccc(OC)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.48
CYP1A1 P04798 7/20 0.48
CYP1B1 Q16678 7/20 0.48
ALDH1A1 P00352 3/20 0.46
TRIM24 O15164 1/20 0.44
TYR P14679 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
NFE2L2 Q16236 3/20 0.43
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
NQO2 P16083 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2E1 P05181 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
SCHEMBL1236491 0.83 ALDH1A1 (0.66) CYP1A2CYP1A1CYP1B1ALDH1A1TRIM24
SCHEMBL16093963 0.82 CYP1A2 (0.47) CYP1A2CYP1A1CYP1B1ALDH1A1TRIM24
SCHEMBL28761484 0.82 CYP1A1 (0.47) CYP1A2CYP1A1CYP1B1ALDH1A1TRIM24
Hydrochloric Acid SCHEMBL968280 0.80 CYP1A2 (0.46) CYP1A2CYP1A1CYP1B1ALDH1A1TRIM24
SCHEMBL11266435 0.77 KMT2A (0.61) CYP1A2CYP1A1CYP1B1ALDH1A1TRIM24
SCHEMBL14422185 0.77 TRIM24 (0.43) CYP1A2CYP1A1CYP1B1ALDH1A1TRIM24
SCHEMBL11266428 0.77 KMT2A (0.61) CYP1A2CYP1A1CYP1B1ALDH1A1TRIM24
SCHEMBL3604055 0.77 TRIM24 (0.43) CYP1A2CYP1A1CYP1B1ALDH1A1TRIM24
SCHEMBL1547597 0.77 CYP1A2 (0.73) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL9026006 0.76 CYP1A2 (0.53) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2

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 17 patents. 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
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-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
EP-1686996-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2006-08-09 EP 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

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-20050059662-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R CYP1A2 2636/4885CYP1A1 1761/4885CYP1B1 2743/4885
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R CYP1A2 2110/4885CYP1A1 1701/4885CYP1B1 1845/4885
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R CYP1A2 255/4885CYP1A1 144/4885CYP1B1 232/4885

“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.