SCHEMBL24776

SCHEMBL24776

CC(C)(Cl)c1cc([N+](=O)[O-])ccc1OC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HTT P42858 3/20 0.41
GALR3 O60755 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
TTR P02766 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
PKM P14618 2/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
TBXA2R P21731 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL24775 0.90 MEN1 (0.42) NR1H4TDP1MEN1KMT2AHTT
SCHEMBL2153555 0.88 MEN1 (0.50) NR1H4TDP1MEN1KMT2AHTT
SCHEMBL2153552 0.88 MEN1 (0.50) NR1H4TDP1MEN1KMT2AHTT
SCHEMBL26133 0.82 RECQL (0.42) NR1H4TDP1MEN1KMT2AHTT
SCHEMBL3639263 0.78 HTT (0.47) TDP1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL2153548 0.78 HTT (0.51) NR1H4TDP1MEN1KMT2AHTT
SCHEMBL8190236 0.78 MEN1 (0.44) TDP1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL28193618 0.77 HSD17B10 (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL3135666 0.77 ALDH1A1 (0.55) TDP1MEN1KMT2AHTTALDH1A1
SCHEMBL3135676 0.77 ALDH1A1 (0.55) TDP1MEN1KMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2016-03-31 US disclosed
US-9238616-B2 Prodrugs of gaba analogs, compositions and uses thereof XENOPORT, INC. (US) 2016-01-19 US disclosed
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF ARBOR PHARMACEUTICALS, LLC 2015-10-29 US disclosed
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2013-04-25 US disclosed
US-8367722-B2 Methods of using prodrugs of pregabalin XENOPORT, INC. (US) 2013-02-05 US disclosed
US-8367711-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20120238608-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-09-20 US disclosed
US-8252825-B2 Angiotensin II receptor antagonists NICOX (IT) 2012-08-28 US disclosed
US-8207208-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
CN-102482256-A N-substituted cyclic amino derivatives DAINIPPON SUMITOMO PHARMA CO 2012-05-30 CN disclosed
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2004-04-22 US disclosed
EP-1404324-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2004-04-07 EP disclosed
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof ARBOR PHARMACEUTICALS, LLC 2004-01-08 US disclosed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 US disclosed
EP-1343805-A1 BILE-ACID DERIVED COMPOUNDS FOR PROVIDING SUSTAINED SYSTEMIC CONCENTRATIONS OF DRUGS AFTER ORAL ADMINISTRATION Xenoport, Inc. (US) 2003-09-17 EP disclosed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 WO disclosed
US-20020151529-A1 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration XENOPORT, INC. 2002-10-17 US disclosed
WO-2002028881-A1 BILE-ACID DERIVED COMPOUNDS FOR PROVIDING SUSTAINED SYSTEMIC CONCENTRATIONS OF DRUGS AFTER ORAL ADMINISTRATION XENOPORT, INC. (US) 2002-04-11 WO disclosed
US-5684018-A Acyloxyisopropyl carbamates as prodrugs for amine drugs MERCK & CO., INC. (US) 1997-11-04 US disclosed
WO-1996018605-A1 ACYLOXYISOPROPYL CARBAMATES AS PRODRUGS FOR AMINE DRUGS MERCK & CO., INC. (US) 1996-06-20 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-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 NR1H4 849/4885TDP1 1112/4885MEN1 2201/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 NR1H4 849/4885TDP1 1112/4885MEN1 2201/4885
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 NR1H4 849/4885TDP1 1112/4885MEN1 2201/4885
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 NR1H4 849/4885TDP1 1112/4885MEN1 2201/4885
US-20020151529-A1 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration SLC10A2, SLC10A1, ABCB11 NR1H4 4/4885TDP1 4158/4885MEN1 1245/4885
US-20120238608-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN NR1H4 194/4885TDP1 4705/4885MEN1 1614/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 NR1H4 849/4885TDP1 1112/4885MEN1 2201/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 NR1H4 849/4885TDP1 1112/4885MEN1 2201/4885

“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.