SCHEMBL1196

SCHEMBL1196

CCCc1nn(CC)c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.32
THRB P10828 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL5411887 0.92 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1POLBNPC1
SCHEMBL1295 0.87 SMN1; SMN2 (0.72) SMN1; SMN2MAPTALDH1A1POLBMEN1
SCHEMBL1115 0.84 SMN1; SMN2 (0.76) SMN1; SMN2MAPTALDH1A1NPC1MEN1
SCHEMBL6403255 0.83 SMN1; SMN2 (0.50) SMN1; SMN2MAPTALDH1A1POLBMEN1
SCHEMBL5416311 0.80 MAPT (0.57) SMN1; SMN2MAPTALDH1A1POLBNPC1
SCHEMBL6362154 0.80 SMN1; SMN2 (0.63) SMN1; SMN2MAPTNPC1MEN1KMT2A
SCHEMBL7847021 0.78 SMN1; SMN2 (0.90) SMN1; SMN2MAPTNPC1MEN1KMT2A
SCHEMBL5418794 0.78 SMN1; SMN2 (0.36) SMN1; SMN2MAPTALDH1A1POLBNPC1
SCHEMBL5419298 0.78 MAPT (0.41) SMN1; SMN2MAPTALDH1A1POLBNPC1
SCHEMBL6711341 0.78 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1POLBNPC1

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
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
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
US-5719283-A INHIBITORS OF PHOSPHODIESTERASES; CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1998-02-17 US disclosed
CN-1028758-C Pyrazolopyrimidinone antianginal agents PFIZER (US) 1995-06-07 CN disclosed
EP-0463756-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1995-04-19 EP disclosed
US-5346901-A Treatment of angina, hypertension, heart failure and atherosclerosis PFIZER INC. (US) 1994-09-13 US disclosed
US-5250534-A Inhibitors of cyclic guanosine 3*,5*-monophosphate phosphodiesterase PFIZER INC. (US) 1993-10-05 US disclosed
EP-0463756-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1992-01-02 EP disclosed
CN-1057464-A Pyrazolopyrimidinoneantianginal antianginal agents PFIZER (US) 1992-01-01 CN 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 SMN1; SMN2 2913/4885MAPT 4869/4885ALDH1A1 1248/4885

“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.