SCHEMBL3259245

SCHEMBL3259245

CCCCCCCCNNC(=O)c1cc(O)c(C(=O)OC)s1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.51
HDAC8 Q9BY41 6/20 0.51
HDAC11 Q96DB2 4/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC3 O15379 15/20 0.46
HDAC2 Q92769 11/20 0.46
NAAA Q02083 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
SCHEMBL3182874 0.87 NAAA (0.48) NAAA
SCHEMBL577650 0.73 MAPT (0.45)
SCHEMBL577651 0.71 MAPT (0.44)
SCHEMBL17203079 0.71 GSK3B (0.52) HDAC1HDAC6HDAC3
SCHEMBL8928677 0.69 KMT2A (0.39)
SCHEMBL3203700 0.69 PKM (0.47)
SCHEMBL3191091 0.68 PTGS2 (0.51)
SCHEMBL29358739 0.68 HDAC1 (1.00) HDAC1HDAC8HDAC11HDAC6HDAC3
SCHEMBL8390586 0.66 HDAC3 (0.77) HDAC1HDAC8HDAC11HDAC6HDAC3
SCHEMBL9826082 0.66 HSD17B10 (0.49)

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-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FAS SECURED CREDITORS HOLDCO, LLC 2010-02-04 US disclosed
US-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FAS SECURED CREDITORS HOLDCO, LLC 2010-02-04 US disclosed
US-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FAS SECURED CREDITORS HOLDCO, LLC 2010-02-04 US 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-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME CYP3A7, DHCR7, CYP2A7 HDAC1 2484/4885HDAC8 1340/4885HDAC11 1407/4885

“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.