SCHEMBL538189

SCHEMBL538189

CCOC(=O)c1cnc2cc([N+](=O)[O-])ccc2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 8/20 0.52
GAA P10253 3/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAOB P27338 1/20 0.46
MAPK10 P53779 1/20 0.45
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 2/20 0.44
THRB P10828 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL538523 0.91 SMN1; SMN2 (0.53) SMN1; SMN2MAPTGAAMEN1KMT2A
SCHEMBL538232 0.88 SMN1; SMN2 (0.55) SMN1; SMN2MAPTGAAMEN1KMT2A
SCHEMBL12426321 0.83 KMT2A (0.57) SMN1; SMN2MAPTGAAMEN1KMT2A
SCHEMBL1178069 0.83 KMT2A (0.58) SMN1; SMN2MAPTGAAMEN1KMT2A
SCHEMBL538711 0.82 SMN1; SMN2 (0.54) SMN1; SMN2MAPTGAAMEN1KMT2A
SCHEMBL621104 0.81 KMT2A (0.55) SMN1; SMN2MAPTGAAMEN1KMT2A
SCHEMBL2723785 0.81 GAA (0.57) SMN1; SMN2MAPTGAAMEN1KMT2A
SCHEMBL1467397 0.80 KMT2A (0.54) SMN1; SMN2MAPTGAAMEN1KMT2A
SCHEMBL1644605 0.79 KMT2A (0.53) MAPTGAAMEN1KMT2AMAPK10
SCHEMBL4743428 0.79 KMT2A (0.53) MAPTGAAMEN1KMT2AMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598159-B2 Therapeutic pyrazoloquinoline derivatives DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-12-03 US disclosed
EP-2166852-B1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS INC (US) 2012-02-08 EP disclosed
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2011-03-17 US disclosed
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2011-03-17 US disclosed
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2011-03-17 US disclosed
US-7872002-B2 Therapeutic pyrazoloquinoline derivatives HELICON THERAPEUTICS, INC. (US) 2011-01-18 US disclosed
US-7872002-B2 Therapeutic pyrazoloquinoline derivatives HELICON THERAPEUTICS, INC. (US) 2011-01-18 US disclosed
US-7872002-B2 Therapeutic pyrazoloquinoline derivatives HELICON THERAPEUTICS, INC. (US) 2011-01-18 US disclosed
CN-101742908-A therapeutic pyrazoloquinoline derivatives HELICON THERAPEUTICS INC 2010-06-16 CN disclosed
EP-2166852-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES Helicon Therapeutics, Inc. (US) 2010-03-31 EP disclosed
WO-2008154438-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-18 WO disclosed
WO-2008154438-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-18 WO disclosed
US-20080306049-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-11 US disclosed
US-20080306049-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-11 US disclosed
US-20080306049-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-11 US disclosed
WO-2008093940-A1 QUINOLINE DERIVATIVES AS CASPASE-3 INHIBITOR, PREPARATION PROCESS FOR THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 2008-08-07 WO disclosed
US-6713489-B2 TREATMENT OF ATHEROSCLEROSIS, OBESITY, DIABETES, HYPERLIPIDEMIA, HYPERLIPOPROTEINEMIA, HYPERCHOLESTEROLEMIA, HYPERTRIGLYCERIDEMIA, HYPOALPHALIPOPROTEINEMIA, PANCREATITIS, MYOCARDIAL INFARCTION, STROKE, RESTENOSIS, OR SYNDROME X PFIZER INC 2004-03-30 US disclosed
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B RUGGERI ROGER (US) 2002-09-19 US disclosed
US-6369075-B1 7[4′-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and method of inhibiting the secretion of apolipoprotein B PFIZER, INC. 2002-04-09 US disclosed
EP-1099701-A1 7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B Pfizer Products Inc. (US) 2001-05-16 EP 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 (3 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-20080306049-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES GABRA5, GABRB1, GABRB2 SMN1; SMN2 2752/4885MAPT 461/4885GAA 2233/4885
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES GABRA5, GABRB1, GABRB2 SMN1; SMN2 2752/4885MAPT 461/4885GAA 2233/4885
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B APOB, CETP, PNLIP SMN1; SMN2 3138/4885MAPT 4189/4885GAA 506/4885

“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.