SCHEMBL4553293

SCHEMBL4553293

COc1cc2[nH]c(=O)ccc2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.51
LMNA P02545 3/20 0.42
CRHR1 P34998 1/20 0.41
DRD2 P14416 5/20 0.40
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
DRD3 P35462 1/20 0.40
DAO P14920 1/20 0.38
AMY1A P0DUB6 1/20 0.38
PDGFRB P09619 1/20 0.38
FLT3 P36888 1/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
OGT O15294 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL4552133 0.84 F11 (0.62) F11LMNADAOKDM4EKMT2A
SCHEMBL16431845 0.80 F11 (0.50) F11LMNAOGTTP53MAPT
SCHEMBL4552642 0.80 F11 (0.55) F11LMNADAOKDM4EKMT2A
SCHEMBL4553365 0.78 MAPT (0.50) LMNADRD2DRD4DRD3KDM4E
SCHEMBL4552979 0.77 KDM4E (0.47) F11LMNADRD2HTR1ADRD4
SCHEMBL24638108 0.77 F11 (0.50) F11LMNADRD2HTR1ADRD4
SCHEMBL1055214 0.76 GRIN2D (0.53) F11LMNADRD2DRD4DRD3
SCHEMBL4553042 0.76 TNKS2 (0.47) LMNADRD2DRD4DRD3KDM4E
SCHEMBL4553075 0.75 F11 (0.56) F11DAOKMT2ATP53MAPT
SCHEMBL4553222 0.74 GRIN2D (0.57) F11LMNADRD2DRD4DRD3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS AG (CH) 2014-10-09 US disclosed
US-20130338171-A1 Pharmaceutically Acceptable Salts of Quinolinone Compounds Having Improved Pharmaceutical Properties NOVARTIS AG (CH) 2013-12-19 US disclosed
US-20130018058-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES CAI SHAOPEI (US) 2013-01-17 US disclosed
US-20090181979-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-07-16 US disclosed
US-20050209247-A1 Lactate salt of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one; improved water solubility and physicochemical properties (e.g., stability, hygroscopicity, crystallinity, and compactibility); vascular endothelial growth factor receptor tyrosine kinase inhibitors CHIRON CORPORATION 2005-09-22 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 (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-20130338171-A1 Pharmaceutically Acceptable Salts of Quinolinone Compounds Having Improved Pharmaceutical Properties H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 F11 386/4885LMNA 1045/4885CRHR1 1442/4885
US-20090181979-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 F11 386/4885LMNA 1045/4885CRHR1 1442/4885
US-20050209247-A1 Lactate salt of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one; improved water solubility and physicochemical properties (e.g., stability, hygroscopicity, crystallinity, and compactibility); vascular endothelial growth factor receptor tyrosine kinase inhibitors KDR, FLT4, FLT1 F11 167/4885LMNA 1685/4885CRHR1 2064/4885
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 F11 386/4885LMNA 1045/4885CRHR1 1442/4885
US-20130018058-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 F11 386/4885LMNA 1045/4885CRHR1 1442/4885

“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.