SCHEMBL3828161

SCHEMBL3828161

Cc1nc2ccccc2c(=O)n1CCCCl

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.74
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
HTR1A P08908 4/20 0.60
HTR7 P34969 4/20 0.60
GAA P10253 1/20 0.60
GFER P55789 1/20 0.60
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 2/20 0.49
RXFP1 Q9HBX9 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
SCHEMBL3823694 0.96 TSHR (0.72) TSHRMEN1KMT2AHTR1AHTR7
SCHEMBL1544971 0.91 MEN1 (0.71) TSHRMEN1KMT2AHTR1AHTR7
SCHEMBL10526480 0.85 TSHR (0.74) TSHRMEN1KMT2AHTR1AHTR7
SCHEMBL14184518 0.85 TSHR (1.00) TSHRMEN1KMT2AHTR1AHTR7
SCHEMBL3824883 0.84 TSHR (0.92) TSHRMEN1KMT2AHTR1AHTR7
SCHEMBL12963486 0.83 MEN1 (0.73) TSHRMEN1KMT2AHTR1AHTR7
SCHEMBL3824919 0.83 TSHR (0.57) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31037456 0.82 MEN1 (0.71) TSHRMEN1KMT2AHTR1AHTR7
SCHEMBL3828558 0.82 TSHR (0.83) TSHRMEN1KMT2AHTR1AHTR7
SCHEMBL3829413 0.81 PDE4A (0.63) TSHRMEN1KMT2AALDH1A1SMN1; SMN2

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
EP-1793828-A4 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY REDDYS LAB LTD DR (IN) 2009-09-02 EP 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-1793828-A2 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY Dr. Reddy's Laboratories Ltd. (IN) 2007-06-13 EP disclosed
WO-2006029075-A2 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY DR. REDDY'S LABORATORIES LTD. (IN) 2006-03-16 WO 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 TSHR 26/4885MEN1 3663/4885KMT2A 1337/4885

“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.