SCHEMBL447033

SCHEMBL447033

COc1cc2c(c(Br)c1OC)CN(Cc1ccc(C(=O)Nc3cc(-c4cccs4)ccc3NC(=O)O)cc1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.45
HDAC2 Q92769 9/20 0.45
ABCB1 P08183 1/20 0.45
HDAC3 O15379 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
KCNH2 Q12809 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
SCHEMBL450096 0.92 HDAC1 (0.43) HDAC1HDAC2ABCB1HDAC3KDM4E
SCHEMBL450095 0.87 HDAC1 (0.44) HDAC1HDAC2ABCB1HDAC3KDM4E
SCHEMBL447034 0.83 KDM4E (0.38) HDAC1HDAC2ABCB1HDAC3KDM4E
SCHEMBL450314 0.79 HDAC1 (0.42) HDAC1HDAC2ABCB1HDAC3KDM4E
SCHEMBL449975 0.79 HDAC1 (0.61) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL449991 0.78 HDAC1 (0.43) HDAC1HDAC2HDAC3KCNH2
SCHEMBL447815 0.78 HDAC1 (0.53) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL447466 0.76 ALDH1A1 (0.41) HDAC1HDAC2MEN1ALDH1A1KMT2A
SCHEMBL3680158 0.76 MEN1 (0.55) HDAC1HDAC2HDAC3MEN1KMT2A
SCHEMBL448440 0.75 MEN1 (0.44) HDAC1HDAC2KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 761/4885HDAC2 641/4885ABCB1 663/4885

“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.