SCHEMBL12621844

SCHEMBL12621844

O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ HCRTR1 O43613 1/20 0.46
▸ HCRTR2 O43614 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL12663591 0.84 ALDH1A1 (0.53) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL13035872 0.83 HCRTR1 (0.49) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL12621895 0.83 CA12 (0.55) L3MBTL1ALDH1A1SMN1; SMN2HCRTR1HCRTR2
SCHEMBL12622042 0.83 L3MBTL1 (0.78) L3MBTL1ALDH1A1LMNAKDM4EHCRTR1
SCHEMBL12626205 0.83 L3MBTL1 (0.58) L3MBTL1ALDH1A1SMN1; SMN2KDM4EHCRTR1
SCHEMBL13035969 0.83 L3MBTL1 (0.58) L3MBTL1ALDH1A1KDM4EHCRTR1HCRTR2
SCHEMBL12622153 0.83 POLB (0.66) L3MBTL1ALDH1A1SMN1; SMN2KDM4EHCRTR1
SCHEMBL12622049 0.83 L3MBTL1 (0.58) L3MBTL1ALDH1A1KDM4EHCRTR1HCRTR2
SCHEMBL12626006 0.83 L3MBTL1 (0.58) L3MBTL1ALDH1A1KDM4EHCRTR1HCRTR2
SCHEMBL12621845 0.83 L3MBTL1 (0.65) L3MBTL1ALDH1A1HTTPOLB

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-2498600-B1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS INC (US) 2016-03-02 — — EP disclosed
US-8580809-B2 Filamin A-binding anti-inflammatory analgesic PAIN THERAPEUTICS, INC. (US) 2013-11-12 — — US disclosed
US-8580809-B2 Filamin A-binding anti-inflammatory analgesic PAIN THERAPEUTICS, INC. (US) 2013-11-12 — — US disclosed
US-8580808-B2 Filamin A-binding anti-inflammatory analgesic Pain Therapeutic, Inc. (US) 2013-11-12 — — US disclosed
US-8580808-B2 Filamin A-binding anti-inflammatory analgesic Pain Therapeutic, Inc. (US) 2013-11-12 — — US disclosed
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US disclosed
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US disclosed
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US disclosed
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US disclosed
US-20100280057-A1 NOVEL ANALGESIC THAT BINDS FILAMIN A BURNS BARBIER LINDSAY 2010-11-04 — — US disclosed
US-20100280057-A1 NOVEL ANALGESIC THAT BINDS FILAMIN A BURNS BARBIER LINDSAY 2010-11-04 — — US disclosed
WO-2010051476-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS, INC. (US) 2010-05-06 — — 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 (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-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 L3MBTL1 3970/4885ALDH1A1 2702/4885SMN1; SMN2 3022/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 L3MBTL1 3970/4885ALDH1A1 2702/4885SMN1; SMN2 3022/4885
US-20100280057-A1 NOVEL ANALGESIC THAT BINDS FILAMIN A FLNA, OPRL1, FLNB L3MBTL1 2361/4885ALDH1A1 1689/4885SMN1; SMN2 755/4885

“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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