SCHEMBL4553604

SCHEMBL4553604

CS(=O)(=O)c1ccc(-c2ccc3ccc(=O)[nH]c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SCD O00767 3/20 0.43
KIF11 P52732 1/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA1 P00915 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42

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
SCHEMBL4553299 0.89 MAPT (0.52) CDK5CDK5R1POLBRXFP1MAPT
SCHEMBL4551905 0.80 PTGS2 (0.47) CDK5CDK5R1MEN1KMT2ASCD
SCHEMBL4552072 0.80 PTGS2 (0.49) SCDPTGS2
SCHEMBL4553552 0.78 LMNA (0.47) POLBRXFP1MAPTPTGS2TP53
SCHEMBL27805572 0.78 CA12 (0.59) POLBRXFP1MAPTMEN1KMT2A
SCHEMBL30433593 0.75 PDE3B (0.59) CA12CA9CA1CA3CA4
SCHEMBL23207309 0.73 CA9 (0.62) CA12CA9CA1CA3CA4
SCHEMBL3203294 0.73 CA12 (0.47) POLBRXFP1MAPTMEN1KMT2A
SCHEMBL21905330 0.72 SCD (0.57) POLBRXFP1MAPTMEN1KMT2A
SCHEMBL10300269 0.72 PTGS2 (0.62) KIF11CA12CA9PTGS2

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 CDK5 2154/4885CDK5R1 2284/4885POLB 3420/4885
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 CDK5 2154/4885CDK5R1 2284/4885POLB 3420/4885
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 CDK5 1040/4885CDK5R1 1227/4885POLB 2365/4885
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 CDK5 2154/4885CDK5R1 2284/4885POLB 3420/4885
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 CDK5 2154/4885CDK5R1 2284/4885POLB 3420/4885

“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.