SCHEMBL5203548

SCHEMBL5203548

O=C(O)c1ccc(-c2cc(-c3ccc(Cl)cc3)on2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.69
RAB9A P51151 6/20 0.69
ABCB1 P08183 1/20 0.59
ABCC1 P33527 1/20 0.59
CDH1 P12830 1/20 0.56
CTNNB1 P35222 1/20 0.56
TCF7L2 Q9NQB0 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
CXCR1 P25024 2/20 0.51
CTRC Q99895 2/20 0.50
NOTUM Q6P988 2/20 0.49
PTPN1 P18031 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 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
SCHEMBL5206339 1.00 NPC1 (0.69) NPC1RAB9AABCB1ABCC1CDH1
SCHEMBL14646224 0.92 ABCB1 (0.66) NPC1RAB9AABCB1ABCC1SMN1; SMN2
SCHEMBL5207621 0.88 NPC1 (0.71) NPC1RAB9AABCB1ABCC1SMN1; SMN2
SCHEMBL5206888 0.88 NPC1 (0.71) NPC1RAB9AABCB1ABCC1SMN1; SMN2
SCHEMBL1505371 0.87 NPC1 (0.68) NPC1RAB9AABCB1ABCC1CDH1
SCHEMBL17805665 0.86 ALDH1A1 (0.64) NPC1RAB9AABCB1ABCC1SMN1; SMN2
SCHEMBL1505293 0.86 NPC1 (0.67) NPC1RAB9AABCB1ABCC1CDH1
SCHEMBL18489825 0.85 NPC1 (0.86) NPC1RAB9ACXCR1NOTUMCASP3
SCHEMBL12171507 0.85 NPC1 (0.69) NPC1RAB9AABCB1ABCC1SMN1; SMN2
SCHEMBL12171882 0.85 NPC1 (0.69) NPC1RAB9AABCB1ABCC1SMN1; SMN2

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 22 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
EP-2301538-A1 Compounds for nonsense suppression, and methods for their use 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
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-7223791-B2 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-29 US disclosed
US-20040157881-A1 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
EP-1405636-A1 FUNCTION REGULATOR FOR RETINOID RELATIVE RECEPTOR Takeda Chemical Industries, Ltd. (JP) 2004-04-07 EP 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-20040157881-A1 Function regulator for retinoid relative receptor RXRA, RARA, RARG NPC1 828/4885RAB9A 1448/4885ABCB1 2996/4885
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 2451/4885ABCB1 3581/4885
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 2860/4885ABCB1 3467/4885
US-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 NPC1 732/4885RAB9A 2618/4885ABCB1 2752/4885
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 NPC1 732/4885RAB9A 2618/4885ABCB1 2752/4885

“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.