SCHEMBL15564795

SCHEMBL15564795

CCC(=O)CCCCC[C@@H](c1ncc(-c2cc3ccccc3nc2OC)o1)N(C)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 18/20 0.66
HDAC8 Q9BY41 18/20 0.66
HDAC6 Q9UBN7 18/20 0.66
HDAC3 O15379 17/20 0.66
HDAC1 Q13547 17/20 0.66
HDAC4 P56524 7/20 0.66
HDAC7 Q8WUI4 7/20 0.66
HDAC10 Q969S8 7/20 0.66
HDAC11 Q96DB2 7/20 0.66
HDAC9 Q9UKV0 7/20 0.66
HDAC5 Q9UQL6 7/20 0.66
KCNH2 Q12809 6/20 0.61
CYP2C9 P11712 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
SCHEMBL15564796 1.00 HDAC2 (0.66) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL16968879 0.88 HDAC2 (0.68) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL16968880 0.88 HDAC2 (0.68) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL15564607 0.84 HDAC2 (0.69) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL15564604 0.84 HDAC2 (0.69) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL15564755 0.83 HDAC3 (0.64) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL19512462 0.83 HDAC2 (0.79) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL15563942 0.82 HDAC2 (0.76) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL15563938 0.82 HDAC2 (0.76) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL16968843 0.81 HDAC2 (0.75) HDAC2HDAC8HDAC6HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2882724-B1 COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS THAT ARE AMELIORATED BY INHIBITION OF HDAC IRBM - SCIENCE PARK S P A (IT) 2017-11-01 EP disclosed
US-9371295-B2 Compounds for use in the treatment of disorders that are ameliorated by inhibition of HDAC IRBM-SCIENCE PARK S.P.A. (IT) 2016-06-21 US disclosed
US-20150218112-A1 COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS THAT ARE AMELIORATED BY INHIBITION OF HDAC IRBM - SCIENCE PARK S.P.A. (IT) 2015-08-06 US disclosed
EP-2882724-A1 COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS THAT ARE AMELIORATED BY INHIBITION OF HDAC IRBM - Science Park S.p.A. (IT) 2015-06-17 EP disclosed
WO-2014023754-A1 COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS THAT ARE AMELIORATED BY INHIBITION OF HDAC IRBM - SCIENCE PARK S.P.A. (IT) 2014-02-13 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-20150218112-A1 COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS THAT ARE AMELIORATED BY INHIBITION OF HDAC HDAC5, HDAC4, HDAC6 HDAC2 12/4885HDAC8 10/4885HDAC6 3/4885

“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.