SCHEMBL5339440

SCHEMBL5339440

O=C(O)C(=O)C1CCc2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ DRD2 P14416 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ GRIN2B Q13224 3/20 0.40
▸ PTPRC P08575 1/20 0.40
▸ S100A4 P26447 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ BAZ1A Q9NRL2 1/20 0.39
▸ CA9 Q16790 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MMP8 P22894 5/20 0.37

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
SCHEMBL14558120 0.82 ALDH1A1 (0.44) GAAMAPTDRD2HTR2AALDH1A1
SCHEMBL6793951 0.79 CYP19A1 (0.51) DRD2
SCHEMBL10366561 0.78 DRD2 (0.48) GAAMAPTDRD2HTR2AGRIN2B
SCHEMBL1811557 0.76 PTPRC (0.45) GAAMAPTDRD2HTR2AGRIN2B
SCHEMBL20500978 0.76 PTPRC (0.45) GAAMAPTDRD2HTR2AGRIN2B
SCHEMBL23174869 0.76 DRD2 (0.46) GAAMAPTDRD2HTR2AGRIN2B
SCHEMBL4317118 0.76 PTPRC (0.45) GAAMAPTDRD2HTR2AGRIN2B
SCHEMBL6796053 0.73 HSP90AA1 (0.46) GRIN2BHSP90AA1TDP1
Hydrochloric Acid SCHEMBL10469678 0.72 HSP90AA1 (0.44) GRIN2BHSP90AA1TDP1
Hydrochloric Acid SCHEMBL10469680 0.72 HSP90AA1 (0.44) GRIN2BHSP90AA1TDP1

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-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 — — US disclosed
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation BERGMANIS ARIJA A 2005-11-17 — — US disclosed
US-6956052-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2005-10-18 — — US disclosed
EP-1501805-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2005-02-02 — — EP disclosed
EP-1444207-A2 SUBSTITUTED PYRAZOLYL-COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-08-11 — — EP disclosed
US-20040110741-A1 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORARTION 2004-06-10 — — US disclosed
WO-2003095430-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-11-20 — — WO disclosed
WO-2003024935-A2 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-03-27 — — 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 (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-20040110741-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 GAA 4230/4885MAPT 2496/4885DRD2 4813/4885
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 GAA 4230/4885MAPT 2496/4885DRD2 4813/4885

“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.

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