SCHEMBL505539

SCHEMBL505539

O=C(O)c1cccc2nc(-c3ccc(-c4ccccc4)cc3)oc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 1.00
ESR2 Q92731 2/20 0.55
ELANE P08246 1/20 0.53
HTR3A P46098 1/20 0.51
MTNR1A P48039 6/20 0.50
MTNR1B P49286 6/20 0.50
PTPN1 P18031 1/20 0.47
ESR1 P03372 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDE10A Q9Y233 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CETP P11597 1/20 0.46

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
SCHEMBL121400 0.97 DHODH (0.94) DHODHESR2ELANEHTR3AMTNR1A
SCHEMBL16495358 0.90 DHODH (0.81) DHODHESR2ELANEHTR3AMTNR1A
SCHEMBL120313 0.88 DHODH (0.78) DHODHESR2ELANEHTR3AMTNR1A
SCHEMBL121395 0.88 DHODH (0.78) DHODHESR2ELANEHTR3AMTNR1A
SCHEMBL204887 0.86 DHODH (0.76) DHODHESR2ELANEHTR3AMTNR1A
SCHEMBL5109570 0.86 DHODH (0.76) DHODHESR2ELANEHTR3AMTNR1A
SCHEMBL16383807 0.86 DHODH (0.76) DHODHESR2ELANEHTR3AMTNR1A
SCHEMBL2950955 0.84 DHODH (0.72) DHODHESR2HTR3ANPC1RAB9A
SCHEMBL6216739 0.84 DHODH (0.72) DHODHESR2HTR3APTPN1ESR1
SCHEMBL31737306 0.84 DHODH (0.72) DHODHESR2ELANEHTR3AMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135305-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2014-05-15 US claimed
US-20110086833-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. 2011-04-14 US claimed
WO-2009151546-A2 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2009-12-17 WO claimed
EP-2414328-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA (CH) 2021-05-26 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
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 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-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
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2009151546-A2 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2009-12-17 WO disclosed
WO-2009151546-A2 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2009-12-17 WO disclosed
US-20080269191-A1 Compounds for Nonsense Suppression, Use of These Compounds for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. (US) 2008-10-30 US disclosed
US-20080269191-A1 Compounds for Nonsense Suppression, Use of These Compounds for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. (US) 2008-10-30 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

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-20110086833-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, NSUN2, SNRPB2 DHODH 3507/4885ESR2 3270/4885ELANE 1739/4885
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 DHODH 2054/4885ESR2 4218/4885ELANE 1082/4885
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 DHODH 1669/4885ESR2 4121/4885ELANE 657/4885
US-20080269191-A1 Compounds for Nonsense Suppression, Use of These Compounds for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases UPF1, NSUN2, RNMT DHODH 2079/4885ESR2 3420/4885ELANE 2068/4885
US-20140135305-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, NSUN2, SNRPB2 DHODH 3507/4885ESR2 3270/4885ELANE 1739/4885

“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.