SCHEMBL140473

SCHEMBL140473

C[CH]c1ccc(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
DYRK1A Q13627 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL16618763 0.84 NFE2L2 (0.39) TDP1F7F3DYRK1AGABRA1
SCHEMBL256042 0.83 NFE2L2 (0.40) TDP1F7F3DYRK1AGABRA1
SCHEMBL27671787 0.78 F7 (0.38) TDP1F7F3DYRK1AGABRA1
SCHEMBL9996581 0.77 TDP1 (0.40) TDP1F7F3DYRK1AGABRA1
SCHEMBL4706047 0.77 TDP1 (0.40) TDP1F7F3DYRK1AHDAC3
SCHEMBL155661 0.77 TDP1 (0.61) TDP1F7F3DYRK1AHDAC3
SCHEMBL1614008 0.77 GRIN2D (0.40) TDP1GABRA1GABRG2GABRB3HDAC3
SCHEMBL1384058 0.76 NFE2L2 (0.54) ALDH1A1NFE2L2
SCHEMBL705623 0.76 TDP1 (0.60) TDP1GABRA1GABRG2GABRB3ALDH1A1
SCHEMBL3318679 0.74 NFE2L2 (0.50) NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083845-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2024-03-14 US claimed
CN-117136178-A SARS-COV-2 Mpro inhibitor compounds 赫帕雷斯治疗有限公司 2023-11-28 CN claimed
WO-2012100436-A1 COMPOUND AS ANTAGONIST OF LYSOPHOSPHATIDIC ACID RECEPTOR, COMPOSITION, AND USE THEREOF CUREGENIX INC. (CN) 2012-08-02 WO claimed
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
EP-1651229-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS Chiron Corporation (US) 2006-05-03 EP claimed
US-7034033-B2 Substituted quinazolinone compounds CHIRON CORPORATION (US) 2006-04-25 US claimed
US-20060030573-A1 Substituted quinazolinone compounds BOYCE RUSTUM S 2006-02-09 US claimed
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION GLAXOSMITHKLINE 2005-09-01 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-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
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

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-20050059662-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R TDP1 3526/4885F7 3779/4885F3 3587/4885
US-20040019049-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R TDP1 4103/4885F7 4192/4885F3 4364/4885
US-20060030573-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R TDP1 4137/4885F7 4175/4885F3 4366/4885
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R TDP1 3359/4885F7 1200/4885F3 3483/4885
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R TDP1 3399/4885F7 3702/4885F3 3585/4885
US-20240083845-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS ACE2, SARS1, ACE TDP1 4270/4885F7 2877/4885F3 2105/4885

“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.