SCHEMBL8144604

SCHEMBL8144604

O=C(CCCCCC(OCc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1)NO

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 14/20 0.78
HDAC1 Q13547 9/20 0.74
HDAC8 Q9BY41 8/20 0.74
HDAC6 Q9UBN7 7/20 0.74
HDAC11 Q96DB2 6/20 0.74
HDAC3 O15379 6/20 0.74
HDAC10 Q969S8 5/20 0.74
HDAC4 P56524 5/20 0.74
HDAC7 Q8WUI4 5/20 0.74
HDAC9 Q9UKV0 5/20 0.74
HDAC5 Q9UQL6 5/20 0.74
NCOR2 Q9Y618 2/20 0.48
KDM4E B2RXH2 1/20 0.48
BRD4 O60885 1/20 0.48
NCOR1 O75376 1/20 0.48
NR1I2 O75469 1/20 0.48
EGFR P00533 1/20 0.48
CYP3A4 P08684 1/20 0.48
LTA4H P09960 1/20 0.48
NR0B1 P51843 1/20 0.48

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
SCHEMBL27791715 0.92 HDAC2 (0.66) HDAC2HDAC1HDAC8HDAC6HDAC11
SCHEMBL8152458 0.88 HDAC2 (1.00) HDAC2HDAC1HDAC8HDAC6HDAC11
SCHEMBL3591434 0.88 HDAC2 (0.62) HDAC2HDAC1HDAC8HDAC6HDAC11
SCHEMBL8152753 0.88 HDAC2 (0.85) HDAC2HDAC1HDAC8HDAC6HDAC11
SCHEMBL8152692 0.87 HDAC2 (0.83) HDAC2HDAC1HDAC8HDAC6HDAC11
SCHEMBL8144340 0.85 HDAC2 (1.00) HDAC2HDAC1HDAC8HDAC6HDAC11
SCHEMBL8150732 0.85 HDAC2 (1.00) HDAC2HDAC1HDAC8HDAC6HDAC11
SCHEMBL8152903 0.85 HDAC2 (1.00) HDAC2HDAC1HDAC8HDAC6HDAC11
SCHEMBL13369410 0.85 HDAC2 (0.55) HDAC2HDAC1HDAC8HDAC6HDAC11
SCHEMBL8153980 0.85 HDAC2 (1.00) HDAC2HDAC1HDAC8HDAC6HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 US disclosed
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 US disclosed
WO-2008110583-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-09-18 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-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS HDAC3, HCCS, CCNH HDAC2 27/4885HDAC1 5/4885HDAC8 51/4885

“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.