SCHEMBL147045

SCHEMBL147045

[CH2]Cc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
SLC6A2 P23975 9/20 0.41
SLC6A4 P31645 9/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SLC6A3 Q01959 1/20 0.40
DHFR P00374 1/20 0.40
P2RX7 Q99572 7/20 0.39

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
SCHEMBL1538597 0.83 IDO1 (0.63) IDO1SLC6A2SLC6A4HDAC3HDAC1
SCHEMBL3278241 0.81 IDO1 (0.61) IDO1SLC6A2SLC6A4HDAC3HDAC1
SCHEMBL14647652 0.79 IDO1 (0.59) IDO1SLC6A2SLC6A4HDAC3HDAC1
SCHEMBL3278237 0.79 IDO1 (0.59) IDO1SLC6A2SLC6A4HDAC3HDAC1
SCHEMBL29616489 0.79 IDO1 (0.59) IDO1SLC6A2SLC6A4HDAC3HDAC1
SCHEMBL17864241 0.79 IDO1 (0.59) IDO1SLC6A2SLC6A4HDAC3HDAC1
SCHEMBL109671 0.79 IDO1 (0.65) IDO1SLC6A2SLC6A4HDAC3HDAC1
SCHEMBL8417818 0.79 IDO1 (0.59) IDO1SLC6A2SLC6A4HDAC3HDAC1
SCHEMBL147650 0.79 DAO (0.46) IDO1SLC6A4
SCHEMBL488748 0.79 IDO1 (0.59) IDO1SLC6A2SLC6A4HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2532663-B1 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2016-03-16 EP claimed
EP-2532663-A1 Naphthalenecarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2012-12-12 EP claimed
US-7858631-B2 Substituted pyrido [2,3-d] pyrimidinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-28 US claimed
EP-1551834-B1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-25 EP claimed
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 US claimed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 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
JP-2007501861-A 2007-02-01 JP claimed
EP-1551834-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS CHIRON CORPORATION (US) 2005-07-13 EP claimed
WO-2005051391-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2005-06-09 WO claimed
US-20050124652-A1 Guanidino compounds BOYCE RUSTUM (US) 2005-06-09 US claimed
US-20050059662-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2005-03-17 US claimed
WO-2004112793-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-12-29 WO claimed
EP-1478626-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2004-11-24 EP claimed
US-20040019049-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2004-01-29 US claimed
WO-2003099818-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS CHIRON CORPORATION (US) 2003-12-04 WO claimed
US-20030195187-A1 Guanidino compounds CHIRON CORPORATION 2003-10-16 US claimed
WO-2003066597-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2003-08-14 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 IDO1 740/4885SLC6A2 1389/4885SLC6A4 248/4885
US-20030195187-A1 Guanidino compounds MC4R, MC2R, GPR4 IDO1 1285/4885SLC6A2 1477/4885SLC6A4 421/4885
US-20040019049-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R IDO1 711/4885SLC6A2 1714/4885SLC6A4 291/4885
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R IDO1 1340/4885SLC6A2 1097/4885SLC6A4 177/4885
US-20050124652-A1 Guanidino compounds MC4R, MC2R, GPR4 IDO1 1285/4885SLC6A2 1477/4885SLC6A4 421/4885

“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.