SCHEMBL4305912

SCHEMBL4305912

O=c1cc(NCCN2CCCC2)c2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.50
SMARCA2 P51531 1/20 0.50
KDM4E B2RXH2 3/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PARP1 P09874 3/20 0.47
KAT2B Q92831 3/20 0.47
MPO P05164 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD3 P35462 1/20 0.45
HSD17B10 Q99714 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4292193 0.83 DRD2 (0.57) KDM4EHRH3ALDH1A1KAT2BMPO
SCHEMBL3731782 0.82 ACP1 (0.55) ACP1KDM4ELMNAMAPTALDH1A1
SCHEMBL1054619 0.76 KAT2B (0.50) KDM4ELMNAALDH1A1KAT2BHTR2A
SCHEMBL17865106 0.73 DRD2 (0.50)
SCHEMBL13429296 0.73 LTA4H (0.41) KDM4ELMNAMAPTHRH3PARP1
SCHEMBL7206567 0.73 ACP1 (0.52) ACP1SMARCA2KDM4EHRH3ALDH1A1
SCHEMBL27783323 0.72 KDM4E (0.60) KDM4ELMNAALDH1A1MPOKMT2A
SCHEMBL4286370 0.71 SIGMAR1 (0.40) ACP1SMARCA2KDM4EHRH3KMT2A
SCHEMBL7896084 0.70 DRD2 (0.72) KDM4ELMNAMAPTALDH1A1PARP1
SCHEMBL4553571 0.70 SIGMAR1 (0.42) ACP1SMARCA2KDM4EMAPTHRH3

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 6 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-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 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 (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-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 ACP1 1924/4885SMARCA2 2514/4885KDM4E 2423/4885
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 ACP1 4134/4885SMARCA2 3638/4885KDM4E 3069/4885
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 ACP1 4134/4885SMARCA2 3638/4885KDM4E 3069/4885
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 ACP1 366/4885SMARCA2 3668/4885KDM4E 1710/4885
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 ACP1 4134/4885SMARCA2 3638/4885KDM4E 3069/4885
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 ACP1 4134/4885SMARCA2 3638/4885KDM4E 3069/4885

“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.