SCHEMBL3666798

SCHEMBL3666798

O=[N+]([O-])C1C(O)CCCC1O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSR P00390 7/20 0.45
CA2 P00918 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC18A3 Q16572 1/20 0.31
CA1 P00915 1/20 0.31
CA4 P22748 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
SCHEMBL16238007 1.00 GSR (0.45) GSRCA2MEN1KMT2ASLC18A3
SCHEMBL19551024 1.00 GSR (0.45) GSRCA2MEN1KMT2ASLC18A3
SCHEMBL19551025 1.00 GSR (0.45) GSRCA2MEN1KMT2ASLC18A3
SCHEMBL16254272 1.00 GSR (0.45) GSRCA2MEN1KMT2ASLC18A3
SCHEMBL6900128 0.84 CA1 (0.44) GSRCA2CA1CA4
Nitric Acid SCHEMBL9874582 0.72 GSR (0.54) GSRCA2MEN1KMT2ASLC18A3
Nitric Acid SCHEMBL9803591 0.72 GSR (0.54) GSRCA2MEN1KMT2ASLC18A3
SCHEMBL12723211 0.72
SCHEMBL23515650 0.72 MAPT (0.34) GSRCA2
SCHEMBL21054688 0.72 MAPT (0.34) GSRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234987-B1 PERHYDROQUINOXALINE DERIVATIVES AS ANALGESICS WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR (DE) 2012-12-12 EP claimed
US-8309725-B2 Perhydroquinoxaline derivatives, their preparation and use in medicaments Dr. August Wolff GmbH & Co. KG—Arzneimittel (DE) 2012-11-13 US claimed
EP-2234987-A2 PERHYDROQUINOXALINE DERIVATIVES AS ANALGESICS Dr. August Wolff GmbH & Co. KG Arzneimittel (DE) 2010-10-06 EP claimed
WO-2009080745-A2 PERHYDROQUINOXALINE DERIVATIVES Westfälische Wilhelms Universität Münster (DE) 2009-07-02 WO claimed
US-20160122307-A1 PERHYDROQUINOXALINE DERIVATIVES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2016-05-05 US disclosed
EP-2997025-A1 PERHYDROQUINOXALINE DERIVATIVES USEFUL AS ANALGESICS Dr. August Wolff GmbH & Co. KG Arzneimittel (DE) 2016-03-23 EP disclosed
WO-2014184355-A1 PERHYDROQUINOXALINE DERIVATIVES USEFUL AS ANALGESICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2014-11-20 WO disclosed
EP-2234987-B1 PERHYDROQUINOXALINE DERIVATIVES AS ANALGESICS WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR (DE) 2012-12-12 EP disclosed
US-8309725-B2 Perhydroquinoxaline derivatives, their preparation and use in medicaments Dr. August Wolff GmbH & Co. KG—Arzneimittel (DE) 2012-11-13 US disclosed
US-20100311761-A1 PERHYDROQUINOXALINE DERIVATIVES DR. AUGUST WOLFF GMBH & CO. KG - ARZNEIMITTEL (DE) 2010-12-09 US disclosed
EP-2234987-A2 PERHYDROQUINOXALINE DERIVATIVES AS ANALGESICS Dr. August Wolff GmbH & Co. KG Arzneimittel (DE) 2010-10-06 EP disclosed
WO-2009080745-A2 PERHYDROQUINOXALINE DERIVATIVES Westfälische Wilhelms Universität Münster (DE) 2009-07-02 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-20160122307-A1 PERHYDROQUINOXALINE DERIVATIVES PTGS1, HPGD, HMOX1 GSR 120/4885CA2 1392/4885MEN1 3821/4885
US-20100311761-A1 PERHYDROQUINOXALINE DERIVATIVES FH, HOGA1, SDHA GSR 60/4885CA2 2010/4885MEN1 1827/4885

“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.