SCHEMBL4922153

SCHEMBL4922153

Nc1ccccc1C(=O)NCCCO

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
ALDH1A1 P00352 7/20 0.59
HPGD P15428 6/20 0.59
KDM4E B2RXH2 6/20 0.59
TSHR P16473 1/20 0.54
HSD17B10 Q99714 2/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 1/20 0.51
HDAC3 O15379 5/20 0.49
HDAC1 Q13547 5/20 0.49
RCE1 Q9Y256 1/20 0.49
CDK1 P06493 1/20 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
SCHEMBL30827780 1.00 HTT (0.62) HTTALDH1A1HPGDKDM4ETSHR
SCHEMBL4914527 0.95 ALDH1A1 (0.57) HTTALDH1A1HPGDKDM4ETSHR
SCHEMBL866062 0.91 ALDH1A1 (0.64) HTTALDH1A1HPGDKDM4ETSHR
SCHEMBL3688021 0.89 ALDH1A1 (0.62) HTTALDH1A1HPGDKDM4ETSHR
SCHEMBL31267470 0.89 ALDH1A1 (0.62) HTTALDH1A1HPGDKDM4ETSHR
SCHEMBL1204120 0.89 ALDH1A1 (0.62) HTTALDH1A1HPGDKDM4ETSHR
SCHEMBL31267447 0.87 ALDH1A1 (0.68) HTTALDH1A1HPGDKDM4ETSHR
SCHEMBL8620126 0.85 ALDH1A1 (0.57) HTTALDH1A1HPGDKDM4ETSHR
SCHEMBL5674955 0.85 TSHR (0.77) HTTALDH1A1HPGDKDM4ETSHR
SCHEMBL8515238 0.85 ALDH1A1 (0.57) HTTALDH1A1HPGDKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117800977-A Preparation method and application of 2, 3-condensed quinazolinone compound 桂林理工大学 2024-04-02 CN claimed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 US disclosed
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 US disclosed
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 US disclosed
EP-1652881-A1 Thermal stabilizer compositions for halogen-containing vinyl polymers Rohm and Haas Company (US) 2006-05-03 EP disclosed
US-20060089436-A1 Thermal stabilizer compositions for halogen-containing vinyl polymers AUSTEN STEVEN C 2006-04-27 US disclosed
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed
EP-0174412-B1 STABILISATION OF THERMOPLASTICS CONTAINING CHLORINE WITH ORGANIC COMPOUNDS CONTAINING NITROGEN CIBA-GEIGY AG (CH) 1988-10-26 EP disclosed
US-4642322-A Stabilization of chlorine-containing thermoplastics with nitrogen-containing organic compounds CIBA-GEIGY CORPORATION (US) 1987-02-10 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 (1 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-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity PPARA, PPARD, PPARG HTT 2493/4885ALDH1A1 1248/4885HPGD 1597/4885

“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.