SCHEMBL4287093

SCHEMBL4287093

CN1CCC(NC(=O)c2ccc3c(c2)ncn3C)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.60
NPC1 O15118 4/20 0.60
ALDH1A1 P00352 3/20 0.60
TP53 P04637 9/20 0.55
RAB9A P51151 3/20 0.55
USP2 O75604 1/20 0.55
SMYD3 Q9H7B4 1/20 0.54
MAPT P10636 4/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NAMPT P43490 1/20 0.51
CHRNA7 P36544 1/20 0.51
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL4288472 0.93 HPGD (0.55) HPGDNPC1ALDH1A1TP53RAB9A
SCHEMBL2143670 0.82 ALDH1A1 (0.52) HPGDNPC1ALDH1A1TP53RAB9A
SCHEMBL19740120 0.78 CHRNA7 (0.67) NAMPTCHRNA7
SCHEMBL19739675 0.78 CHRNA7 (0.67) NAMPTCHRNA7
SCHEMBL17842880 0.78 CHRNA7 (0.67) NAMPTCHRNA7
SCHEMBL8360112 0.77 NAMPT (0.61) HPGDNPC1ALDH1A1TP53RAB9A
SCHEMBL112516 0.77 NPC1 (0.61) HPGDNPC1ALDH1A1SMYD3LMNA
SCHEMBL19739855 0.77 CHRNA7 (0.85) CHRNA7
SCHEMBL19739849 0.77 CHRNA7 (0.85) CHRNA7
Hydrochloric Acid SCHEMBL19740044 0.77 CHRNA7 (0.66) NAMPTCHRNA7

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 7 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
CN-100526312-C Benzimidazole quinolinones and uses thereof CHIRON CORP (US) 2009-08-12 CN disclosed
US-20090181979-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-07-16 US disclosed
CN-1692112-A Benzimidazole quinolinones and uses thereof CHIRON CORP (US) 2005-11-02 CN 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 HPGD 3158/4885NPC1 1626/4885ALDH1A1 1479/4885
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 HPGD 3158/4885NPC1 1626/4885ALDH1A1 1479/4885
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 HPGD 2804/4885NPC1 4778/4885ALDH1A1 1023/4885
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 HPGD 3158/4885NPC1 1626/4885ALDH1A1 1479/4885
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 HPGD 3158/4885NPC1 1626/4885ALDH1A1 1479/4885

“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.