SCHEMBL4871450

SCHEMBL4871450

Cc1ccc(-c2noc(-c3cccc(C(=O)O)c3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.68
NPC1 O15118 7/20 0.67
RAB9A P51151 7/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
NFKB1 P19838 4/20 0.66
NFKB2 Q00653 4/20 0.66
RELA Q04206 4/20 0.66
MAOA P21397 1/20 0.57
BLVRB P30043 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HAVCR2 Q8TDQ0 3/20 0.56
TP53 P04637 5/20 0.55
MAPT P10636 2/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL59426 0.94 NPC1 (0.67) NR1H4NPC1RAB9AL3MBTL1NFKB1
SCHEMBL12171569 0.90 NPC1 (0.76) NR1H4NPC1RAB9AL3MBTL1NFKB1
SCHEMBL60082 0.89 RAB9A (0.71) NR1H4NPC1RAB9AL3MBTL1NFKB1
SCHEMBL12171450 0.89 RAB9A (0.71) NR1H4NPC1RAB9AL3MBTL1NFKB1
SCHEMBL4875653 0.86 NPC1 (0.67) NR1H4NPC1RAB9AL3MBTL1MAOA
SCHEMBL4876270 0.86 NPC1 (0.80) NR1H4NPC1RAB9AL3MBTL1MAOA
SCHEMBL19131261 0.86 NPC1 (0.66) NR1H4NPC1RAB9AL3MBTL1NFKB1
SCHEMBL1430178 0.85 NR1H4 (0.68) NR1H4NPC1RAB9AL3MBTL1NFKB1
SCHEMBL12171518 0.85 NPC1 (0.67) NR1H4NPC1RAB9AL3MBTL1NFKB1
SCHEMBL19131262 0.84 NR1H4 (0.77) NR1H4NPC1RAB9AL3MBTL1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2017-07-20 US disclosed
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2017-07-20 US disclosed
US-9611230-B2 1,3,4-oxadiazole benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2017-04-04 US disclosed
US-9611230-B2 1,3,4-oxadiazole benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2017-04-04 US disclosed
EP-3067053-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2016-09-14 EP disclosed
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. 2016-07-14 US disclosed
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. 2016-07-14 US disclosed
US-9289398-B2 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC THERAPEUTICS, INC. (US) 2016-03-22 US disclosed
US-9289398-B2 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC THERAPEUTICS, INC. (US) 2016-03-22 US disclosed
EP-2939674-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2015-11-04 EP disclosed
EP-2301536-A1 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2011-03-30 EP disclosed
US-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH THERAPEUTICS, INC. (US) 2011-02-24 US disclosed
US-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH THERAPEUTICS, INC. (US) 2011-02-24 US disclosed
US-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use PCT THERAPEUTICS, INC. (US) 2009-10-08 US disclosed
US-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use PCT THERAPEUTICS, INC. (US) 2009-10-08 US disclosed
US-7432293-B2 Heterocyclic compounds useful as Nurr-1 activators NOVARTIS AG (CH) 2008-10-07 US disclosed
WO-2007117438-A2 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. (US) 2007-10-18 WO disclosed
US-20060089365-A1 Heterocyclic compounds useful as nurr-1 activators NOVARTIS AG (CH) 2006-04-27 US disclosed
EP-1597243-A1 HETEROCYCLIC COMPOUNDS USEFUL AS NURR-1 ACTIVATORS Novartis AG (CH) 2005-11-23 EP disclosed
WO-2004072050-A1 HETEROCYCLIC COMPOUNDS USEFUL AS NURR-1 ACTIVATORS NOVARTIS AG (CH) 2004-08-26 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 (5 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-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH UPF1, DNAJC10, RNGTT NR1H4 3859/4885NPC1 2442/4885RAB9A 2451/4885
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH UPF1, DNAJC10, RNGTT NR1H4 3572/4885NPC1 2269/4885RAB9A 2860/4885
US-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 NR1H4 3038/4885NPC1 732/4885RAB9A 2618/4885
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 NR1H4 3038/4885NPC1 732/4885RAB9A 2618/4885
US-20060089365-A1 Heterocyclic compounds useful as nurr-1 activators NCOR1, NCOR2, NR4A1 NR1H4 316/4885NPC1 620/4885RAB9A 2603/4885

“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.