SCHEMBL1675744

SCHEMBL1675744

O=C(O)c1ccc2oc(-c3ccc(N4CCC4)cc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.53
IP6K1 Q92551 1/20 0.51
IP6K3 Q96PC2 1/20 0.51
IP6K2 Q9UHH9 1/20 0.51
HPSE Q9Y251 6/20 0.51
S1PR1 P21453 5/20 0.49
S1PR3 Q99500 3/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 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
SCHEMBL1675514 0.98 HDAC6 (0.56) HDAC6IP6K1IP6K3IP6K2HPSE
SCHEMBL1675427 0.92 HDAC6 (0.59) HDAC6HPSEHDAC3HDAC1HDAC2
SCHEMBL13568696 0.87 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL9797021 0.85 HDAC6 (0.65) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL13135790 0.84 HDAC6 (0.63) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1675380 0.84 IP6K1 (0.58) HDAC6IP6K1IP6K3IP6K2HPSE
SCHEMBL1675408 0.84 HDAC6 (0.76) HDAC6HPSEHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL17985190 0.83 HDAC6 (0.62) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1675431 0.82 KDM4E (0.54) HDAC6HPSES1PR1S1PR3
SCHEMBL1675444 0.81 HDAC6 (0.79) HDAC6HPSEHDAC3

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-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
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-20140135305-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2014-05-15 US disclosed
US-20140135305-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2014-05-15 US disclosed
US-20140135305-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2014-05-15 US disclosed
US-8633019-B2 Methods for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2014-01-21 US disclosed
US-8633019-B2 Methods for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2014-01-21 US disclosed
US-20110086833-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. 2011-04-14 US disclosed
US-20110086833-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. 2011-04-14 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-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 HDAC6 161/4885IP6K1 2820/4885IP6K3 2634/4885
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 HDAC6 2201/4885IP6K1 3570/4885IP6K3 3831/4885
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 HDAC6 2371/4885IP6K1 3707/4885IP6K3 3925/4885
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 HDAC6 836/4885IP6K1 3669/4885IP6K3 3942/4885
US-20140135305-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, NSUN2, SNRPB2 HDAC6 161/4885IP6K1 2820/4885IP6K3 2634/4885

“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.