SCHEMBL1306244

SCHEMBL1306244

O=C(CCCCCC(c1c[nH]c2cccc(F)c12)c1c[nH]c2cccc(F)c12)NO

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 13/20 0.67
HDAC1 Q13547 13/20 0.67
HDAC8 Q9BY41 11/20 0.67
HDAC9 Q9UKV0 9/20 0.67
HDAC5 Q9UQL6 9/20 0.67
HDAC3 O15379 8/20 0.67
HDAC10 Q969S8 8/20 0.67
HDAC4 P56524 8/20 0.67
HDAC7 Q8WUI4 8/20 0.67
HDAC6 Q9UBN7 8/20 0.67
HDAC11 Q96DB2 7/20 0.67
FFAR1 O14842 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
ALOX5 P09917 1/20 0.40
KDM4E B2RXH2 1/20 0.40
BRD4 O60885 1/20 0.40
NCOR1 O75376 1/20 0.40
NR1I2 O75469 1/20 0.40
EGFR P00533 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL1304901 0.88 HDAC3 (0.50) HDAC2HDAC1HDAC8HDAC9HDAC5
SCHEMBL1306222 0.83 HDAC3 (0.50) HDAC2HDAC1HDAC8HDAC9HDAC5
SCHEMBL1306219 0.81 SMN1; SMN2 (0.46) HDAC2HDAC1HDAC8HDAC9HDAC5
SCHEMBL1306499 0.81 HDAC1 (1.00) HDAC2HDAC1HDAC8HDAC9HDAC5
SCHEMBL1306249 0.81 HDAC1 (1.00) HDAC2HDAC1HDAC8HDAC9HDAC5
SCHEMBL1305968 0.79 HDAC1 (0.97) HDAC2HDAC1HDAC8HDAC9HDAC5
SCHEMBL1305744 0.75 HDAC1 (0.90) HDAC2HDAC1HDAC8HDAC9HDAC5
SCHEMBL1306653 0.72 HDAC2 (0.71) HDAC2HDAC1HDAC8HDAC9HDAC5
SCHEMBL1305567 0.71 HDAC2 (0.73) HDAC2HDAC1HDAC8HDAC9HDAC5
SCHEMBL5191228 0.71 FFAR1 (0.59) HDAC2HDAC1HDAC8HDAC3HDAC6

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 HDAC2 2819/4885HDAC1 2669/4885HDAC8 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.