SCHEMBL537859

SCHEMBL537859

CCOC(=O)C(=CNc1ccc([N+](=O)[O-])cc1)C(=O)OCC

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.69
NPSR1 Q6W5P4 2/20 0.61
MAPT P10636 5/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 2/20 0.55
KMT2A Q03164 3/20 0.53
PKM P14618 1/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
GLO1 Q04760 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL10863692 0.87 DHODH (0.90) DHODHNPSR1MAPTCYP1A2CYP2C19
SCHEMBL10863273 0.86 MAPT (0.58) DHODHNPSR1MAPTCYP1A2CYP2C19
SCHEMBL4742571 0.84 DHODH (0.64) DHODHNPSR1MAPTCYP1A2CYP2C19
SCHEMBL1892083 0.84 ALDH1A1 (0.59) DHODHNPSR1MAPTCYP1A2CYP2C19
SCHEMBL16522194 0.84 ALDH1A1 (0.59) DHODHNPSR1MAPTCYP1A2CYP2C19
SCHEMBL1892085 0.84 ALDH1A1 (0.59) DHODHNPSR1MAPTCYP1A2CYP2C19
SCHEMBL10859666 0.82 MAPT (0.61) DHODHNPSR1MAPTCYP1A2CYP2C19
SCHEMBL5046712 0.82 DHODH (1.00) DHODHNPSR1MAPTLMNAKMT2A
SCHEMBL25184818 0.81 DHODH (0.79) DHODHNPSR1MAPTCYP1A2CYP2C19
SCHEMBL10860874 0.81 MAPT (0.62) DHODHNPSR1MAPTCYP1A2CYP2C19

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 8 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-7872002-B2 Therapeutic pyrazoloquinoline derivatives HELICON THERAPEUTICS, INC. (US) 2011-01-18 US 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
US-20080306049-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-11 US disclosed
EP-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 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 (2 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 DHODH 1764/4885NPSR1 114/4885MAPT 461/4885
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES GABRA5, GABRB1, GABRB2 DHODH 1764/4885NPSR1 114/4885MAPT 461/4885

“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.