SCHEMBL8229932

SCHEMBL8229932

O=C(CS)NCCCCCC(=O)Nc1nc(-c2ccccc2F)cs1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 0.58
▸ HDAC6 Q9UBN7 13/20 0.58
▸ HDAC9 Q9UKV0 13/20 0.58
▸ HDAC2 Q92769 12/20 0.58
▸ HDAC3 O15379 11/20 0.58
▸ HDAC10 Q969S8 11/20 0.58
▸ HDAC4 P56524 9/20 0.58
▸ HDAC7 Q8WUI4 9/20 0.58
▸ HDAC11 Q96DB2 9/20 0.58
▸ HDAC8 Q9BY41 9/20 0.58
▸ HDAC5 Q9UQL6 9/20 0.58
▸ GSTO1 P78417 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ NCOR2 Q9Y618 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
SCHEMBL8230787 0.82 HDAC1 (0.64) HDAC1HDAC6HDAC9HDAC2HDAC3
SCHEMBL8227045 0.80 MAPT (0.54) HDAC1HDAC6HDAC9HDAC2HDAC3
SCHEMBL8227619 0.79 HDAC1 (0.61) HDAC1HDAC6HDAC9HDAC2HDAC3
SCHEMBL8272150 0.79 HDAC1 (0.65) HDAC1HDAC6HDAC9HDAC2HDAC3
SCHEMBL13213519 0.77 HDAC1 (0.69) HDAC1HDAC6HDAC9HDAC2HDAC3
SCHEMBL8229145 0.76 ALDH1A1 (0.60) HDAC1HDAC6HDAC9HDAC2HDAC3
SCHEMBL10807052 0.75 GSTO1 (0.73) GSTO1LMNA
SCHEMBL24359677 0.74 HDAC1 (0.78) HDAC1HDAC6HDAC9HDAC2HDAC3
SCHEMBL8271089 0.74 KMT2A (0.55) HDAC1HDAC6HDAC9HDAC2HDAC3
SCHEMBL8271103 0.73 HDAC1 (0.52) HDAC1HDAC6HDAC9HDAC2HDAC3

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
US-8653278-B2 Isoform selective HDAC inhibitors GEORGETOWN UNIVERSITY (US) 2014-02-18 — — US disclosed
US-8653278-B2 Isoform selective HDAC inhibitors GEORGETOWN UNIVERSITY (US) 2014-02-18 — — US disclosed
US-20100196502-A1 Isoform Selective HDAC Inhibitors GEORGETOWN UNIVERSITY (US) 2010-08-05 — — US disclosed
US-20100196502-A1 Isoform Selective HDAC Inhibitors GEORGETOWN UNIVERSITY (US) 2010-08-05 — — US disclosed
WO-2008019025-A2 ISOFORM-SELECTIVE HDAC INHIBITORS GEORGETOWN UNIVERSITY (US) 2008-02-14 — — 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-20100196502-A1 Isoform Selective HDAC Inhibitors HDAC5, HDAC6, HDAC3 HDAC1 4/4885HDAC6 2/4885HDAC9 7/4885

“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.

Send feedback