SCHEMBL449182

SCHEMBL449182

COc1cc2c(c(-c3ccccc3)c1OC)CN(CCCCCC(=O)Nc1ccccc1N)C2=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.59
HDAC3 O15379 16/20 0.59
HDAC6 Q9UBN7 15/20 0.59
HDAC7 Q8WUI4 14/20 0.59
HDAC8 Q9BY41 14/20 0.59
HDAC2 Q92769 13/20 0.59
HDAC4 P56524 12/20 0.59
HDAC10 Q969S8 12/20 0.59
HDAC11 Q96DB2 12/20 0.59
HDAC9 Q9UKV0 12/20 0.59
HDAC5 Q9UQL6 12/20 0.59
NCOR2 Q9Y618 2/20 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
SCHEMBL449565 0.93 HDAC1 (0.56) HDAC1HDAC3HDAC6HDAC7HDAC8
SCHEMBL447577 0.92 HDAC1 (0.56) HDAC1HDAC3HDAC6HDAC7HDAC8
SCHEMBL452508 0.92 HDAC1 (0.53) HDAC1HDAC3HDAC6HDAC7HDAC8
SCHEMBL450622 0.92 HDAC1 (0.53) HDAC1HDAC3HDAC6HDAC7HDAC8
SCHEMBL437105 0.85 FAAH (0.40) HDAC1HDAC3HDAC6HDAC7HDAC8
SCHEMBL437104 0.85 KDM4E (0.47) HDAC1
SCHEMBL449686 0.80 HDAC1 (0.73) HDAC1HDAC3HDAC6HDAC7HDAC8
SCHEMBL447722 0.80 HDAC1 (0.59) HDAC1HDAC3HDAC6HDAC7HDAC2
SCHEMBL448249 0.76 ALDH1A1 (0.42)
SCHEMBL450140 0.75 EGFR (0.41)

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 9 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
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
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 761/4885HDAC3 638/4885HDAC6 467/4885

“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.