SCHEMBL26589

SCHEMBL26589

CC(C)C(OC(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MDM2 Q00987 1/20 0.41
ALOX5 P09917 3/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 4/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39

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
SCHEMBL26588 1.00 MAPT (0.43) MAPTMEN1KMT2AALDH1A1MDM2
SCHEMBL7680649 0.86 RECQL (0.43) MAPTMEN1KMT2AALDH1A1RECQL
SCHEMBL27164 0.85 LMNA (0.38) MAPTMEN1KMT2AALDH1A1RECQL
SCHEMBL7202037 0.83 CYSLTR2 (0.40) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7202038 0.83 CYSLTR2 (0.40) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3067746 0.81 MAPT (0.43) MAPTMEN1KMT2AALDH1A1MDM2
SCHEMBL3067750 0.81 MAPT (0.43) MAPTMEN1KMT2AALDH1A1MDM2
SCHEMBL7200664 0.77 CYP1A2 (0.41) MAPTMEN1KMT2AALDH1A1RECQL
SCHEMBL26110 0.77 LMNA (0.44) MAPTMEN1KMT2AALDH1A1RECQL
SCHEMBL24652 0.76 LMNA (0.43) MAPTMEN1KMT2AALDH1A1RECQL

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 24 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-8168623-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2012-05-01 US disclosed
US-20120035258-A1 METHODS OF USING PRODRUGS OF PREGABALIN XENOPORT, INC. (US) 2012-02-09 US disclosed
EP-1902714-B1 Prodrugs of gaba analogs, compositions and uses thereof XENOPORT INC (US) 2012-01-11 EP 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
EP-1569895-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2007-07-11 EP disclosed
US-7186855-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2007-03-06 US disclosed
US-20060229361-A1 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2006-10-12 US disclosed
US-6972341-B2 Prodrugs of GABA analogs, compositions and uses thereof XENO PORT, INC. (US) 2005-12-06 US disclosed
EP-1569895-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2005-09-07 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
WO-2004052844-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2004-06-24 WO disclosed
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2004-04-22 US 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

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 MAPT 1074/4885MEN1 2201/4885KMT2A 2132/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 MAPT 1074/4885MEN1 2201/4885KMT2A 2132/4885
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 MAPT 1074/4885MEN1 2201/4885KMT2A 2132/4885
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 MAPT 1074/4885MEN1 2201/4885KMT2A 2132/4885
US-20120035258-A1 METHODS OF USING PRODRUGS OF PREGABALIN GABBR1, GABRB2, GABBR2 MAPT 1536/4885MEN1 2599/4885KMT2A 2790/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 MAPT 1074/4885MEN1 2201/4885KMT2A 2132/4885
US-20060229361-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 MAPT 1074/4885MEN1 2201/4885KMT2A 2132/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 MAPT 1074/4885MEN1 2201/4885KMT2A 2132/4885

“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.