SCHEMBL1505293

SCHEMBL1505293

O=C(O)c1cccc(-c2cc(-c3ccc(Cl)cc3)no2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.67
RAB9A P51151 7/20 0.67
L3MBTL1 Q9Y468 1/20 0.55
CTRC Q99895 1/20 0.52
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
ABCB1 P08183 1/20 0.51
ABCC1 P33527 1/20 0.51
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
CXCR1 P25024 1/20 0.49
MAP4K4 O95819 1/20 0.49
PTPN1 P18031 1/20 0.49
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CDH1 P12830 1/20 0.48
CTNNB1 P35222 1/20 0.48
TCF7L2 Q9NQB0 1/20 0.48

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
SCHEMBL1505371 0.96 NPC1 (0.68) NPC1RAB9AL3MBTL1CTRCHSD17B1
SCHEMBL12171608 0.86 NPC1 (0.67) NPC1RAB9AL3MBTL1CTRCHSD17B1
SCHEMBL12871786 0.86 HSD17B1 (0.52) NPC1RAB9AL3MBTL1HSD17B1HSD17B2
SCHEMBL5206339 0.86 NPC1 (0.69) NPC1RAB9ACTRCABCB1ABCC1
SCHEMBL5203548 0.86 NPC1 (0.69) NPC1RAB9ACTRCABCB1ABCC1
SCHEMBL12171540 0.86 ABCB1 (0.51) NPC1RAB9AL3MBTL1HSD17B1HSD17B2
SCHEMBL5206252 0.86 NPC1 (0.66) NPC1RAB9AL3MBTL1HSD17B1HSD17B2
SCHEMBL957155 0.83 PTPN1 (0.61) NPC1RAB9AL3MBTL1HSD17B1HSD17B2
SCHEMBL4865569 0.83 NPC1 (0.49) NPC1RAB9AL3MBTL1HSD17B1HSD17B2
SCHEMBL12171605 0.83 NPC1 (0.69) NPC1RAB9AHSD17B1HSD17B2ABCB1

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-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-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
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
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-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-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
EP-1815206-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2007-08-08 EP disclosed
US-20060089365-A1 Heterocyclic compounds useful as nurr-1 activators NOVARTIS AG (CH) 2006-04-27 US disclosed
WO-2006044456-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2006-04-27 WO 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 NPC1 2442/4885RAB9A 2451/4885L3MBTL1 214/4885
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 NPC1 2269/4885RAB9A 2860/4885L3MBTL1 139/4885
US-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 NPC1 732/4885RAB9A 2618/4885L3MBTL1 67/4885
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 NPC1 732/4885RAB9A 2618/4885L3MBTL1 67/4885
US-20060089365-A1 Heterocyclic compounds useful as nurr-1 activators NCOR1, NCOR2, NR4A1 NPC1 620/4885RAB9A 2603/4885L3MBTL1 2456/4885

“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.