SCHEMBL8230787

SCHEMBL8230787

O=C(CS)NCCCCCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.64
▸ HDAC6 Q9UBN7 12/20 0.64
▸ HDAC9 Q9UKV0 11/20 0.64
▸ HDAC3 O15379 10/20 0.64
▸ HDAC2 Q92769 10/20 0.64
▸ HDAC10 Q969S8 10/20 0.64
▸ HDAC8 Q9BY41 8/20 0.64
▸ HDAC4 P56524 7/20 0.64
▸ HDAC7 Q8WUI4 7/20 0.64
▸ HDAC11 Q96DB2 7/20 0.64
▸ HDAC5 Q9UQL6 7/20 0.64
▸ ALDH1A1 P00352 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ RAB9A P51151 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ GSTO1 P78417 1/20 0.54

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
SCHEMBL8229145 0.85 ALDH1A1 (0.60) HDAC1HDAC6HDAC9HDAC3HDAC2
SCHEMBL13213519 0.85 HDAC1 (0.69) HDAC1HDAC6HDAC9HDAC3HDAC2
SCHEMBL8227619 0.83 HDAC1 (0.61) HDAC1HDAC6HDAC9HDAC3HDAC2
SCHEMBL8272150 0.82 HDAC1 (0.65) HDAC1HDAC6HDAC9HDAC3HDAC2
SCHEMBL8229932 0.82 HDAC1 (0.58) HDAC1HDAC6HDAC9HDAC3HDAC2
SCHEMBL1514632 0.80 RAB9A (0.67) HDAC1HDAC6HDAC9HDAC3HDAC2
SCHEMBL24359677 0.79 HDAC1 (0.78) HDAC1HDAC6HDAC9HDAC3HDAC2
SCHEMBL8272563 0.78 HDAC1 (0.54) HDAC1HDAC6HDAC9HDAC3HDAC2
SCHEMBL8227045 0.78 MAPT (0.54) HDAC1HDAC6HDAC9HDAC3HDAC2
SCHEMBL7256703 0.78 RAB9A (0.70) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A

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.

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