SCHEMBL943514

SCHEMBL943514

O=C(O)c1ccc2oc(-c3ccc(OC(F)(F)F)cc3)nc2c1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.77
HDAC3 O15379 3/20 0.77
HDAC1 Q13547 3/20 0.77
HDAC2 Q92769 3/20 0.77
HDAC8 Q9BY41 3/20 0.77
HPSE Q9Y251 4/20 0.59
MAPT P10636 6/20 0.53
THRB P10828 1/20 0.53
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CETP P11597 1/20 0.50
HSPD1 P10809 1/20 0.49
HSPE1 P61604 1/20 0.49
P2RY14 Q15391 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
SCHEMBL1675550 0.90 HDAC6 (0.64) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19058580 0.87 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1675733 0.87 HDAC6 (0.60) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1675286 0.87 HPSE (0.61) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL9797021 0.85 HDAC6 (0.65) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL13135790 0.84 HDAC6 (0.63) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1675486 0.84 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL17985190 0.83 HDAC6 (0.62) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2091511 0.82 HDAC6 (0.65) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1675515 0.82 MAPT (0.65) HDAC6HDAC3HDAC1HDAC2HDAC8

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 38 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
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-7868033-B2 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, INC. (US) 2011-01-11 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
CN-101198598-A 2- ((hetero) aryl) -benzoxazole compounds and derivatives thereof, compositions, and methods for stabilizing and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS INC (US) 2008-06-11 CN disclosed
EP-1768968-A1 2-((HETERO) ARYL)-BENZOXAZOLE COMPOUNDS AND DERIVATIVES, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING Foldrx Pharmaceuticals, Inc. (US) 2007-04-04 EP disclosed
US-20050282780-A1 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, LLC 2005-12-22 US disclosed
WO-2005113523-A1 2-((HETERO) ARYL)-BENZOXAZOLE COMPOUNDS AND DERIVATIVES, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING FOLDRX PHARMACEUTICALS, INC. (US) 2005-12-01 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 161/4885HDAC3 1363/4885HDAC1 1342/4885
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 2371/4885HDAC3 4224/4885HDAC1 3787/4885
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 836/4885HDAC3 2726/4885HDAC1 2234/4885
US-20140135305-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, NSUN2, SNRPB2 HDAC6 161/4885HDAC3 1363/4885HDAC1 1342/4885
US-20050282780-A1 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding TTR, ALB, TTPA HDAC6 3180/4885HDAC3 4835/4885HDAC1 4548/4885

“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.