SCHEMBL1306206

SCHEMBL1306206

Cc1ccc2[nH]cc(C(CCCCCC(=O)NOCc3ccccc3)c3c[nH]c4ccc(C)cc34)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.54
HDAC1 Q13547 6/20 0.54
HDAC2 Q92769 6/20 0.54
HDAC8 Q9BY41 6/20 0.54
HDAC10 Q969S8 5/20 0.54
HDAC9 Q9UKV0 5/20 0.54
HDAC5 Q9UQL6 5/20 0.54
HDAC6 Q9UBN7 5/20 0.54
HDAC4 P56524 4/20 0.54
HDAC7 Q8WUI4 4/20 0.54
HDAC11 Q96DB2 3/20 0.54
NCOR2 Q9Y618 1/20 0.45
TRPV1 Q8NER1 3/20 0.41
ECE1 P42892 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NR4A2 P43354 1/20 0.38

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
SCHEMBL1308554 0.88 HDAC3 (0.70) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL1306368 0.87 HDAC3 (0.68) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL1306986 0.84 HDAC3 (0.63) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL1306653 0.82 HDAC2 (0.71) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL1305918 0.80 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL1306793 0.79 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL1306749 0.79 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL1306453 0.78 HDAC3 (0.74) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL1306222 0.78 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL1306197 0.77 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC10

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
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 HDAC3 3639/4885HDAC1 2669/4885HDAC2 2819/4885

“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.