SCHEMBL450286

SCHEMBL450286

COc1ccc(-c2cccc(C(=O)NCCCCCC(=O)NO)c2C)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.60
HDAC6 Q9UBN7 18/20 0.60
HDAC2 Q92769 14/20 0.60
HDAC4 P56524 11/20 0.60
HDAC3 O15379 11/20 0.60
HDAC8 Q9BY41 11/20 0.60
HDAC7 Q8WUI4 10/20 0.60
HDAC10 Q969S8 10/20 0.60
HDAC11 Q96DB2 10/20 0.60
HDAC9 Q9UKV0 10/20 0.60
HDAC5 Q9UQL6 10/20 0.60

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
SCHEMBL451922 0.90 HDAC3 (0.48) HDAC1HDAC6HDAC2HDAC4HDAC3
SCHEMBL450483 0.90 POLB (0.51) HDAC1HDAC6HDAC2HDAC4HDAC3
SCHEMBL449412 0.86 HDAC3 (0.68) HDAC1HDAC3
SCHEMBL447081 0.78 HDAC1 (0.60) HDAC1HDAC6HDAC2HDAC4HDAC3
SCHEMBL28733289 0.75 HDAC1 (1.00) HDAC1HDAC6HDAC2HDAC4HDAC3
SCHEMBL28939217 0.75 HDAC1 (1.00) HDAC1HDAC6HDAC2HDAC4HDAC3
SCHEMBL13913239 0.73 NAMPT (0.70) HDAC1HDAC2HDAC3
SCHEMBL6387959 0.73 HDAC6 (0.67) HDAC1HDAC6HDAC2HDAC4HDAC3
SCHEMBL1233091 0.72 HDAC6 (0.86) HDAC1HDAC6HDAC2HDAC4HDAC3
SCHEMBL13593371 0.72 NAMPT (0.62) HDAC1HDAC2HDAC3

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 HDAC1 761/4885HDAC6 467/4885HDAC2 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.