SCHEMBL845937

SCHEMBL845937

O=C1C[N+](c2ccccc2)(c2ccccc2)C(=O)N1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.32
CRBN Q96SW2 3/20 0.32
AHR P35869 1/20 0.32
PDK2 Q15119 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GSK3B P49841 2/20 0.32
NPC1 O15118 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
TDP2 O95551 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
SCHEMBL9070050 0.62 KDM4E (0.30) GSK3B
SCHEMBL7615549 0.58 CA12 (0.32) GSK3B
Biphenyl SCHEMBL7154019 0.56 CRBN (0.58) DDB1CRBNAHRPDK2GSK3B
Succinimide SCHEMBL28635055 0.55 CRBN (0.79) DDB1CRBNNPC1MAPK13MAPK12
SCHEMBL16075134 0.55 CRBN (0.47) CRBNGSK3B
Toluene SCHEMBL8371012 0.54 CRBN (0.52) DDB1CRBNNPC1MAPK13MAPK12
SCHEMBL3724373 0.54 BACE1 (0.46) MMP2MMP9
SCHEMBL1235044 0.53 AHR (0.70) AHRPDK2GSK3BNPC1MAPK13
SCHEMBL114611 0.53 PTGS2 (0.67) GSK3B
SCHEMBL29510715 0.53 AHR (0.70) AHRPDK2GSK3BNPC1MAPK13

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445343-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS Alkermes, Inc. (US) 2012-05-02 EP claimed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 US claimed
WO-2010151711-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. (US) 2010-12-29 WO claimed
EP-2445343-B1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2021-08-04 EP disclosed
US-10723728-B2 Prodrugs of Nh-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2020-07-28 US disclosed
US-10428058-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2019-10-01 US disclosed
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-19 US disclosed
US-20190031648-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2019-01-31 US disclosed
EP-2585066-B1 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES ALKERMES PHARMA IRELAND LTD (IE) 2018-09-26 EP disclosed
US-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 US disclosed
US-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives ALKERMES PHARMA IRELAND LTD (IE) 2017-07-13 US disclosed
US-20140221653-A1 Prodrugs of NH-Acidic Compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2014-08-07 US disclosed
EP-2585066-A2 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES Alkermes Pharma Ireland Limited (IE) 2013-05-01 EP disclosed
EP-2445343-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS Alkermes, Inc. (US) 2012-05-02 EP disclosed
WO-2011163594-A2 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES ALKERMES, INC. (US) 2011-12-29 WO disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 US disclosed
WO-2010151711-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. (US) 2010-12-29 WO disclosed
EP-1596844-A2 USE OF SODIUM CHANNEL MODULATORS FOR TREATING GASTROINTESTINAL TRACT DISORDERS Dynogen Pharmaceuticals Inc. (US) 2005-11-23 EP disclosed
WO-2004066987-A2 USE OF SODIUM CHANNEL MODULATORS FOR TREATING GASTROINTESTINAL TRACT DISORDERS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-08-12 WO disclosed
WO-1996020701-A1 APOPTOSIS-MODULATING COMPOSITION COMPRISING A FACTOR AFFECTING THE INTRACELLULAR RATE OF METHIONAL OR MALONDIALDEHYDE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1996-07-11 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 (8 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-20190031648-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 DDB1 3782/4885CRBN 3598/4885AHR 2204/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 DDB1 3782/4885CRBN 3598/4885AHR 2204/4885
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 DDB1 3782/4885CRBN 3598/4885AHR 2204/4885
US-10428058-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 DDB1 3782/4885CRBN 3598/4885AHR 2204/4885
US-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives PHPT1, SI, CA6 DDB1 3882/4885CRBN 2583/4885AHR 4573/4885
US-20140221653-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 DDB1 3782/4885CRBN 3598/4885AHR 2204/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 DDB1 3782/4885CRBN 3598/4885AHR 2204/4885
US-10723728-B2 Prodrugs of Nh-acidic compounds SI, NAAA, NIT2 DDB1 3782/4885CRBN 3598/4885AHR 2204/4885

“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.