SCHEMBL12171978

SCHEMBL12171978

O=C(O)c1cccc(-c2nnc(-c3cnccc3C(F)(F)F)o2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.47
DHODH Q02127 1/20 0.46
MYC P01106 1/20 0.46
NPC1 O15118 7/20 0.44
RAB9A P51151 6/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 1/20 0.44
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ADCY1 Q08828 1/20 0.41
SYK P43405 1/20 0.40
DDT P30046 1/20 0.40
THRB P10828 1/20 0.40
HDAC1 Q13547 1/20 0.39

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
SCHEMBL12171815 0.86 NPC1 (0.54) DHODHMYCNPC1RAB9AKMT2A
SCHEMBL12171745 0.86 NPC1 (0.50) MYCNPC1RAB9AKMT2AALDH1A1
SCHEMBL6778832 0.83 NPC1 (0.56) DHODHNPC1RAB9AKMT2AALDH1A1
SCHEMBL6776559 0.81 NPC1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL11579267 0.78 NPC1 (0.66) KMOMYCNPC1RAB9AKMT2A
SCHEMBL12171747 0.78 ADCY1 (0.59) KMOMYCNPC1RAB9AKMT2A
SCHEMBL5207083 0.77 NPC1 (0.59) DHODHMYCNPC1RAB9AKMT2A
SCHEMBL4395868 0.76 NPC1 (0.72) KMOMYCNPC1RAB9AKMT2A
SCHEMBL12171919 0.75 MYC (0.51) MYCNPC1RAB9AKMT2AALDH1A1
SCHEMBL12171423 0.74 MAOA (0.67) KMOMYCNPC1RAB9AKMT2A

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 19 patents. 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-2387995-A1 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC Therapeutics, Inc. (US) 2011-11-23 EP disclosed
EP-2311455-A1 Compounds for nonsense suppression, and methods for their use PTC Therapeutics, Inc. (US) 2011-04-20 EP disclosed
EP-2301538-A1 Compounds for nonsense suppression, and methods for their use PTC Therapeutics, Inc. (US) 2011-03-30 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
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 (4 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 KMO 4583/4885DHODH 2054/4885MYC 1944/4885
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 KMO 4622/4885DHODH 1669/4885MYC 1735/4885
US-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 KMO 4060/4885DHODH 1724/4885MYC 1006/4885
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 KMO 4060/4885DHODH 1724/4885MYC 1006/4885

“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.