SCHEMBL4375583

SCHEMBL4375583

COc1ccccc1-c1nc(Cc2ccc(Cl)cc2)no1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.70
MAPK1 P28482 3/20 0.70
ALDH1A1 P00352 2/20 0.65
KDM4E B2RXH2 1/20 0.65
HPGD P15428 1/20 0.65
MAPT P10636 2/20 0.63
TSHR P16473 1/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 4/20 0.63
TDP1 Q9NUW8 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
CHUK O15111 1/20 0.51
TXNRD1 Q16881 1/20 0.51
NOX4 Q9NPH5 1/20 0.51
NMT1 P30419 4/20 0.51
APLNR P35414 1/20 0.50
ERCC1 P07992 1/20 0.49

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
SCHEMBL379161 0.81 RAB9A (0.60) L3MBTL1ALDH1A1KDM4EHPGDMAPT
SCHEMBL92319 0.79 RAB9A (0.58) L3MBTL1ALDH1A1KDM4EHPGDMAPT
SCHEMBL15028328 0.79 NMT1 (0.84) NMT1
SCHEMBL14147338 0.79 SMN1; SMN2 (0.75) L3MBTL1ALDH1A1KDM4EHPGDMAPT
SCHEMBL16770050 0.79 ALDH1A1 (1.00) L3MBTL1MAPK1ALDH1A1KDM4EHPGD
SCHEMBL13461952 0.78 RAB9A (0.57) L3MBTL1ALDH1A1KDM4EHPGDMAPT
SCHEMBL10202917 0.76 RAB9A (0.55) L3MBTL1ALDH1A1KDM4EHPGDMAPT
SCHEMBL5361237 0.74 ALDH1A1 (0.52) L3MBTL1MAPK1ALDH1A1KDM4EHPGD
SCHEMBL12692348 0.72 RAB9A (0.67) L3MBTL1ALDH1A1KDM4EHPGDMAPT
SCHEMBL15028357 0.72 NMT1 (0.81) NMT1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861431-B2 Compounds capable of modulating the activity of multidrug transporters and therapeutic use of the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-03-01 US claimed
US-20030073611-A1 Compounds capable of modulating the activity of multidrug transporters and therapeutic use of the same BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2003-04-17 US claimed
CN-101080224-B Composition for treating pain and application thereof LIMERICK NEUROSCIENCE INC 2011-03-30 CN disclosed
US-20090325906-A1 Methods and compositions for therapeutic treatment LIMERICK BIOPHARMA, INC. 2009-12-31 US disclosed
WO-2009158031-A2 METHODS AND COMPOSITIONS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2009-12-30 WO disclosed
WO-2009158007-A2 METHODS AND COMPOSITIONS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2009-12-30 WO disclosed
CN-101573109-A Methods and compositions for therapeutic treatment LIMERICK BIOPHARMA INC (US) 2009-11-04 CN disclosed
EP-2066331-A2 METHODS FOR TREATING PAIN WITH REDUCED NUASEA AND VOMITING Limerick BioPharma, Inc. (US) 2009-06-10 EP disclosed
US-20090088394-A1 METHODS AND COMPOSITIONS FOR THERAPEUTIC TREATMENT ROBBINS WENDYE 2009-04-02 US disclosed
US-20090076053-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN EFFLUX TECHNOLOGY, INC. 2009-03-19 US disclosed
WO-2008070346-A9 METHODS FOR TREATING PAIN WITH REDUCED NUASEA AND VOMITING LIMERICK BIOPHARMA INC (US) 2008-08-14 WO disclosed
US-20080161248-A1 Methods and Compositions for Therapeutic Treatment LIMERICK BIOPHARMA, INC. 2008-07-03 US disclosed
WO-2008070346-A2 METHODS FOR TREATING PAIN WITH REDUCED NUASEA AND VOMITING LIMERICK BIOPHARMA, INC. (US) 2008-06-12 WO disclosed
CN-101080224-A Methods and compositions for treating pain LIMERICK NEUROSCIENCE INC (US) 2007-11-28 CN disclosed
EP-1817023-A2 METHODS AND COMPOSITIONS FOR TREATING PAIN Limerick Neurosciences, Inc. (US) 2007-08-15 EP disclosed
US-20070087977-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN LIMERICK BIOPHARMA, INC. 2007-04-19 US disclosed
WO-2006055672-A2 METHODS AND COMPOSITIONS FOR TREATING PAIN LIMERICK NEUROSCIENCES, INC. (US) 2006-05-26 WO disclosed
US-20060111308-A1 Methods and compositions for therapeutic treatment LIMERICK NEUROSCIENCES, INC. 2006-05-25 US disclosed
US-20060111307-A1 Methods and compositions for treating pain LIMERICK NEUROSCIENCES, INC. 2006-05-25 US disclosed
US-6861431-B2 Compounds capable of modulating the activity of multidrug transporters and therapeutic use of the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-03-01 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-20060111307-A1 Methods and compositions for treating pain PGF, FABP7, ALPP L3MBTL1 3801/4885MAPK1 3479/4885ALDH1A1 1113/4885
US-20090325906-A1 Methods and compositions for therapeutic treatment SLC2A1, SLC2A2, SLC2A3 L3MBTL1 4794/4885MAPK1 2127/4885ALDH1A1 3471/4885
US-20070087977-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN PGF, FABP7, ALPP L3MBTL1 3801/4885MAPK1 3479/4885ALDH1A1 1113/4885
US-20030073611-A1 Compounds capable of modulating the activity of multidrug transporters and therapeutic use of the same ABCB1, SLC47A1, SLC47A2 L3MBTL1 2718/4885MAPK1 4407/4885ALDH1A1 771/4885
US-20090088394-A1 METHODS AND COMPOSITIONS FOR THERAPEUTIC TREATMENT PGF, FABP7, ALPP L3MBTL1 4140/4885MAPK1 3839/4885ALDH1A1 1215/4885
US-20090076053-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN PGF, FABP7, ALPP L3MBTL1 3801/4885MAPK1 3479/4885ALDH1A1 1113/4885
US-20060111308-A1 Methods and compositions for therapeutic treatment PGF, FABP7, ALPP L3MBTL1 4140/4885MAPK1 3839/4885ALDH1A1 1215/4885
US-20080161248-A1 Methods and Compositions for Therapeutic Treatment PGF, ALPP, CHP1 L3MBTL1 4301/4885MAPK1 3121/4885ALDH1A1 3610/4885

“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.