SCHEMBL1425325

SCHEMBL1425325

CC1C(N(C)CS(=O)(=O)O)C(=O)N(c2ccccc2)N1C.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.42
▸ LMNA P02545 3/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NAPRT Q6XQN6 1/20 0.32
▸ LOX P28300 1/20 0.31
▸ LOXL3 P58215 1/20 0.31
▸ LOXL4 Q96JB6 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
SCHEMBL4291668 0.99 PTGS1 (0.43) PTGS1LMNAABCB11MAPTKDM4E
SCHEMBL1425324 0.86 MAPT (0.44) PTGS1LMNAABCB11MAPTKDM4E
SCHEMBL9616973 0.78 LOX (0.39) PTGS1LMNAABCB11MAPTKDM4E
SCHEMBL13415787 0.69 LMNA (0.45) PTGS1LMNAABCB11MAPTKDM4E
SCHEMBL14446344 0.68 LOX (0.43) PTGS1LMNAABCB11MAPTALDH1A1
SCHEMBL9616703 0.66 LOX (0.41) PTGS1LMNAABCB11MAPTALDH1A1
SCHEMBL30834844 0.64 POLB (0.35) PTGS1LMNAABCB11MAPTKDM4E
SCHEMBL19829483 0.64 LOX (0.39) PTGS1LMNAABCB11MAPTALDH1A1
SCHEMBL2784650 0.64 LMNA (0.40) PTGS1LMNAABCB11MAPTALDH1A1
Metamizole SCHEMBL867884 0.61 PTGS1 (0.97) PTGS1LMNAMAPTKDM4EALOX15

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-9579299-B2 CNS pharmaceutical compositions and methods of use TARGIA PHARMACEUTICALS (IL) 2017-02-28 — — US disclosed
WO-2016027259-A1 CNS PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE TARGIA PHARMACEUTICALS (IL) 2016-02-25 — — WO disclosed
US-20140256709-A1 CNS PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE TARGIA PHARMACEUTICALS (IL) 2014-09-11 — — US disclosed
US-8729070-B2 CNS pharmaceutical compositions and methods of use TARGIA PHARMACEUTICALS (IL) 2014-05-20 — — US disclosed
EP-2012763-B1 PHARMACEUTICAL COMBINATION COMPRISING 3- (3-DIMETHYLAMIN0-1-ETHYL-2-METHYL-PR0PYL) -PHENOL AND AN NSAID GRUENENTHAL GMBH (DE) 2011-03-23 — — EP disclosed
US-20110054038-A1 CNS PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE TARGIA PHARMACEUTICALS (IL) 2011-03-03 — — US disclosed
EP-2254420-A2 CNS PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE Targia Pharmaceuticals (IL) 2010-12-01 — — EP disclosed
WO-2009104080-A2 CNS PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE TARGIA PHARMACEUTICALS (IL) 2009-08-27 — — WO disclosed
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