SCHEMBL1306433

SCHEMBL1306433

COc1cccc2c(C(CCCCCC(=O)NO)c3c[nH]c4c(OC)cccc34)c[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 1.00
HDAC2 Q92769 12/20 1.00
HDAC8 Q9BY41 9/20 1.00
HDAC3 O15379 9/20 1.00
HDAC6 Q9UBN7 9/20 1.00
HDAC10 Q969S8 8/20 1.00
HDAC9 Q9UKV0 8/20 1.00
HDAC5 Q9UQL6 8/20 1.00
HDAC4 P56524 7/20 1.00
HDAC7 Q8WUI4 7/20 1.00
HDAC11 Q96DB2 6/20 0.64
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL1306655 0.89 HDAC3 (0.80) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1306453 0.85 HDAC3 (0.74) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1305567 0.84 HDAC2 (0.73) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1306638 0.84 HDAC3 (0.72) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1306499 0.78 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1306249 0.78 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1305968 0.77 HDAC1 (0.97) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1305744 0.73 HDAC1 (0.90) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL30024944 0.72 ALDH1A1 (0.57) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1307413 0.72 HDAC3 (0.56) HDAC1HDAC2HDAC8HDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053460-B2 Chemoosensitizer for dug resistance tumors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2011-11-08 US claimed
US-20080207729-A1 Chemoosensitizer for dug resistance tumors SIGMA-TAU FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-08-28 US claimed
EP-1891007-A1 INDOLE DERIVATIVES HAVING ANTITUMOR ACTIVITY SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-02-27 EP claimed
WO-2006131484-A1 INDOLE DERIVATIVES HAVING ANTITUMOR ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-12-14 WO claimed
US-8053460-B2 Chemoosensitizer for dug resistance tumors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2011-11-08 US disclosed
US-20080207729-A1 Chemoosensitizer for dug resistance tumors SIGMA-TAU FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-08-28 US disclosed
EP-1891007-A1 INDOLE DERIVATIVES HAVING ANTITUMOR ACTIVITY SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-02-27 EP disclosed
WO-2006131484-A1 INDOLE DERIVATIVES HAVING ANTITUMOR ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-12-14 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-20080207729-A1 Chemoosensitizer for dug resistance tumors UTS2R, ABCC1, SLC11A2 HDAC1 2669/4885HDAC2 2819/4885HDAC8 3066/4885

“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.