SCHEMBL560606

SCHEMBL560606

O=C(Oc1ccc([N+](=O)[O-])cc1)OC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 1/20 0.50
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MGLL Q99685 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALOX5 P09917 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL31024069 0.86 SMN1; SMN2 (0.53) ALDH1A1KMT2AMAPTSMN1; SMN2MGLL
SCHEMBL9475877 0.85 ALDH1A1 (0.63) ALDH1A1CYP3A4KMT2AMAPTSMN1; SMN2
SCHEMBL6443753 0.84 MGLL (0.54) ALDH1A1KMT2AMAPTSMN1; SMN2MGLL
SCHEMBL14662793 0.83 MEN1 (0.63) ALDH1A1CYP3A4KMT2AMAPTMEN1
SCHEMBL11298093 0.80 ALDH1A1 (0.70) ALDH1A1CYP3A4KMT2AMAPTMEN1
SCHEMBL389680 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTSMN1; SMN2MGLL
SCHEMBL7270457 0.80 MEN1 (0.59) ALDH1A1CYP3A4KMT2AMAPTMEN1
SCHEMBL8818613 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTSMN1; SMN2MGLL
SCHEMBL21570247 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTSMN1; SMN2MGLL
SCHEMBL18476480 0.80 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2MGLLCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8168623-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2012-05-01 US disclosed
US-8143437-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. (US) 2012-03-27 US disclosed
US-20120035258-A1 METHODS OF USING PRODRUGS OF PREGABALIN XENOPORT, INC. (US) 2012-02-09 US disclosed
US-8048917-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2011-11-01 US disclosed
EP-1404324-B2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2011-04-06 EP disclosed
US-20100267946-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-10-21 US disclosed
EP-1404324-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2004-12-22 EP disclosed
EP-1485082-A1 METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF Xenoport, Inc. (US) 2004-12-15 EP disclosed
US-6818787-B2 FOR THERAPY AND PROPHYLAXIS OF EPILEPSY, DEPRESSION, ANXIETY, PSYCHOSIS, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, PANIC, PAIN, INFLAMMATORY DISEASE, INSOMNIA, GASTROINTESTINAL DISORDERS XENOPORT, INC. 2004-11-16 US 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
WO-2003077902-A1 METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF XENOPORT, INC. (US) 2003-09-25 WO disclosed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 US disclosed
US-20030171303-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof ARBOR PHARMACEUTICALS, LLC 2003-09-11 US disclosed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 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-20100267946-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP3A4 88/4885KMT2A 2132/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP3A4 88/4885KMT2A 2132/4885
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP3A4 88/4885KMT2A 2132/4885
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP3A4 88/4885KMT2A 2132/4885
US-20120035258-A1 METHODS OF USING PRODRUGS OF PREGABALIN GABBR1, GABRB2, GABBR2 ALDH1A1 606/4885CYP3A4 71/4885KMT2A 2790/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP3A4 88/4885KMT2A 2132/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP3A4 88/4885KMT2A 2132/4885
US-20030171303-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof AADAC, UGT1A1, AGPAT5 ALDH1A1 158/4885CYP3A4 22/4885KMT2A 1253/4885

“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.