SCHEMBL446981

SCHEMBL446981

Cc1cc(C(=O)NCCCCCC(=O)Nc2ccccc2N)ccc1-c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 17/20 0.79
HDAC1 Q13547 16/20 0.74
HDAC2 Q92769 2/20 0.70
NCOR2 Q9Y618 2/20 0.70
HDAC8 Q9BY41 1/20 0.70

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
SCHEMBL446176 0.92 HDAC3 (0.74) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL447406 0.92 HDAC3 (0.76) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL449829 0.91 HDAC3 (0.71) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL449615 0.90 HDAC3 (0.72) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL1938028 0.89 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL449352 0.86 HDAC3 (0.82) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL1937980 0.85 HDAC1 (1.00) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL1938498 0.84 HDAC1 (1.00) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL16017573 0.84 HDAC1 (1.00) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL449726 0.84 HDAC6 (0.70) HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429987-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute Of Chemical Technology (KR) 2012-03-21 EP claimed
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 US claimed
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 WO claimed
US-8716326-B2 Isoindolinone derivatives, preparation method thereof and a pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-05-06 US disclosed
EP-2429987-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute Of Chemical Technology (KR) 2012-03-21 EP disclosed
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 US disclosed
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 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-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME PPIP5K2, SOST, ALPL HDAC3 638/4885HDAC1 761/4885HDAC2 641/4885

“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.