SCHEMBL1310477

SCHEMBL1310477

C[CH]c1ccc(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
KDM1A O60341 2/20 0.37
KDM1B Q8NB78 1/20 0.37
PYCR1 P32322 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX12 P18054 1/20 0.35
GPR183 P32249 1/20 0.35
ERN1 O75460 1/20 0.33
APLNR P35414 2/20 0.33
LMNA P02545 1/20 0.33
NFE2L2 Q16236 3/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL12732543 0.83 GPR183 (0.39) DGAT1KDM1AKDM1BPYCR1NPC1
SCHEMBL31548069 0.77 DGAT1 (0.39) DGAT1KDM1AKDM1BPYCR1NPC1
SCHEMBL19429 0.77 ERN1 (0.52) DGAT1KDM1AKDM1BALDH1A1GPR183
SCHEMBL26159191 0.77 DGAT1 (0.39) DGAT1KDM1AKDM1BPYCR1NPC1
SCHEMBL20465744 0.77 ERN1 (0.52) DGAT1KDM1AKDM1BALDH1A1GPR183
SCHEMBL1051454 0.77 DGAT1 (0.39) DGAT1KDM1AKDM1BPYCR1NPC1
SCHEMBL27644490 0.77 DGAT1 (0.44) DGAT1KDM1AKDM1BNPC1RAB9A
SCHEMBL19513746 0.77 GRIN2D (0.37) DGAT1KDM1AKDM1BPYCR1NPC1
SCHEMBL3133556 0.77 DGAT1 (0.40) DGAT1KDM1AKDM1BPYCR1NPC1
SCHEMBL21352123 0.77 APLNR (0.36) DGAT1KDM1AKDM1BPYCR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858641-B2 melanocortin-4 receptor (MC4-R) agonists such as (3R,5S)-N-(2-{2-[2-fluoro-4-(methyloxy)phenyl]ethyl}-1-oxo-1,2-dihydroisoquinolin-6-yl)-3,5-dimethyl-N'-[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]piperazine-1-carboximidamide, used for the treatment of obesity or diabetes NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-28 US 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
US-20060235019-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2006-10-19 US 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 (6 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-20060235019-A1 Substituted quinazolinone compounds MC4R, MC2R, MC5R DGAT1 2790/4885KDM1A 3982/4885KDM1B 3871/4885
US-20050059662-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R DGAT1 3087/4885KDM1A 4358/4885KDM1B 4385/4885
US-20030195187-A1 Guanidino compounds MC4R, MC2R, GPR4 DGAT1 1430/4885KDM1A 3253/4885KDM1B 3237/4885
US-20040019049-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R DGAT1 2612/4885KDM1A 3787/4885KDM1B 3883/4885
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R DGAT1 3727/4885KDM1A 4137/4885KDM1B 3910/4885
US-20050124652-A1 Guanidino compounds MC4R, MC2R, GPR4 DGAT1 1430/4885KDM1A 3253/4885KDM1B 3237/4885

“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.