SCHEMBL10080945

SCHEMBL10080945

O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.58
MAOB P27338 1/20 0.58
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
NPY5R Q15761 2/20 0.55
ACACB O00763 1/20 0.55
F10 P00742 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 1/20 0.52
NPY1R P25929 1/20 0.52
LMNA P02545 1/20 0.51

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
SCHEMBL27917838 0.86 BCHE (0.65) BCHEMAOBHDAC3HDAC4HDAC1
SCHEMBL932063 0.85 SMN1; SMN2 (0.59) F10SMN1; SMN2HTTLMNAMEN1
SCHEMBL10194489 0.80 ACACB (0.71) BCHEMAOBHDAC3HDAC4HDAC1
SCHEMBL9951626 0.79 PKM (0.73) SMN1; SMN2HTTLMNAPKMMEN1
SCHEMBL14834200 0.77 MGLL (0.72) BCHEMAOBHDAC3HDAC4HDAC1
SCHEMBL8208140 0.77 HDAC3 (0.78) BCHEMAOBHDAC3HDAC4HDAC1
SCHEMBL6584417 0.77 HDAC3 (0.78) BCHEMAOBHDAC3HDAC4HDAC1
SCHEMBL4007525 0.77 HDAC3 (0.71) BCHEMAOBHDAC3HDAC4HDAC1
SCHEMBL4007519 0.77 HDAC3 (0.71) BCHEMAOBHDAC3HDAC4HDAC1
SCHEMBL23052424 0.75 NPY5R (0.69) BCHEMAOBHDAC3HDAC4HDAC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
WO-2011002816-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 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 (1 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-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 BCHE 3647/4885MAOB 3483/4885HDAC3 146/4885

“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.