SCHEMBL537909

SCHEMBL537909

O=c1[nH]c2ccc(F)c(F)c2c(=O)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
CFD P00746 1/20 0.43
DAO P14920 1/20 0.42
MAOA P21397 5/20 0.38
MAOB P27338 5/20 0.38
ACHE P22303 1/20 0.38
OGT O15294 1/20 0.37
NOS1 P29475 5/20 0.37
NOS2 P35228 4/20 0.37
NOS3 P29474 3/20 0.37
GPR84 Q9NQS5 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
ADRA2A P08913 1/20 0.37
TSHR P16473 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AR P10275 1/20 0.35
PDE3B Q13370 1/20 0.33

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
SCHEMBL3576862 0.82 NOS1 (0.42) F2CFDDAOMAOAMAOB
SCHEMBL4502778 0.82 NOS1 (0.42) F2CFDMAOAMAOBACHE
SCHEMBL1203402 0.78 F2 (0.52) F2CFDDAOMAOAMAOB
SCHEMBL2149020 0.77 DAO (0.41) F2CFDDAOMAOAMAOB
SCHEMBL5263339 0.74 MAOA (0.47) F2CFDDAOMAOAMAOB
SCHEMBL4492747 0.70 NOS1 (0.44) F2CFDMAOAMAOBACHE
SCHEMBL8872031 0.70 GRIN2D (0.44) F2CFDMAOAMAOBACHE
SCHEMBL10756217 0.70 F2 (0.43) F2CFDMAOAMAOBACHE
SCHEMBL537910 0.70 F2 (0.43) F2CFDDAOMAOAMAOB
SCHEMBL7030237 0.69 DAO (0.41) DAOGPR84LMNATSHRTHPO

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 17 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-2164328-B1 THERAPEUTIC PYRAZOLOQUINOLINE UREA DERIVATIVES DART NEUROSCIENCE CAYMAN LTD (KY) 2013-08-07 EP disclosed
US-8343957-B2 Therapeutic pyrazoloquinoline urea derivatives DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-01-01 US disclosed
EP-2166852-B1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS INC (US) 2012-02-08 EP disclosed
US-20110071140-A1 THERAPEUTIC PYRAZOLOQUINOLINE UREA DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2011-03-24 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-7863266-B2 Therapeutic pyrazoloquinoline urea derivatives HELICON THERAPEUTICS, INC. (US) 2011-01-04 US disclosed
EP-2166852-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES Helicon Therapeutics, Inc. (US) 2010-03-31 EP disclosed
EP-2164328-A1 THERAPEUTIC PYRAZOLOQUINOLINE UREA DERIVATIVES Helicon Therapeutics, Inc. (US) 2010-03-24 EP disclosed
WO-2008154438-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-18 WO disclosed
WO-2008154442-A1 THERAPEUTIC PYRAZOLOQUINOLINE UREA 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-20080306048-A1 THERAPEUTIC PYRAZOLOQUINOLINE UREA DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-11 US disclosed
EP-0672666-B1 Imidazodiazepins HOFFMANN LA ROCHE (CH) 2001-07-25 EP disclosed
US-5665718-A ANXIOLYTIC, ANTICONVULSANT, MUSCLE RELAXANT, SEDATIVE, HYPNOTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1997-09-09 US disclosed
EP-0672666-A2 Imidazodiazepins F. Hoffmann-La Roche AG (CH) 1995-09-20 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 (4 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 F2 1909/4885CFD 4434/4885DAO 988/4885
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES GABRA5, GABRB1, GABRB2 F2 1909/4885CFD 4434/4885DAO 988/4885
US-20080306048-A1 THERAPEUTIC PYRAZOLOQUINOLINE UREA DERIVATIVES GABRB1, GABRA5, GABRB2 F2 2627/4885CFD 4576/4885DAO 859/4885
US-20110071140-A1 THERAPEUTIC PYRAZOLOQUINOLINE UREA DERIVATIVES GABRB1, GABRA5, GABRB2 F2 2627/4885CFD 4576/4885DAO 859/4885

“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.