SCHEMBL450192

SCHEMBL450192

O=C(CCCCCN1Cc2c(cccc2-c2cc(F)cc(F)c2)C1=O)NOCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.42
NCOR2 Q9Y618 1/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC6 Q9UBN7 5/20 0.42
HDAC8 Q9BY41 5/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC4 P56524 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
DHPS P49366 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37

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
SCHEMBL450373 0.89 HDAC3 (0.42) HDAC3NCOR2HDAC1HDAC6HDAC8
SCHEMBL449132 0.86 HDAC1 (0.44) HDAC3NCOR2HDAC1HDAC6HDAC8
SCHEMBL449644 0.85 HDAC3 (0.46) HDAC3NCOR2HDAC1HDAC6HDAC8
SCHEMBL449076 0.85 DHPS (0.59) HDAC3NCOR2HDAC1HDAC6HDAC8
SCHEMBL452736 0.84 ALDH1A1 (0.41) HDAC3NCOR2HDAC1HDAC6HDAC8
SCHEMBL446713 0.84 HDAC3 (0.46) HDAC3NCOR2HDAC1HDAC6HDAC8
SCHEMBL452641 0.84 HDAC6 (0.51) HDAC3NCOR2HDAC1HDAC6HDAC8
SCHEMBL446499 0.80 POLB (0.41) HDAC3NCOR2HDAC1HDAC6HDAC8
SCHEMBL448030 0.78 HDAC3 (0.49) HDAC3NCOR2HDAC1HDAC6HDAC8
SCHEMBL449636 0.76 HDAC6 (0.49) HDAC3NCOR2HDAC1HDAC6HDAC8

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 HDAC3 638/4885NCOR2 2825/4885HDAC1 761/4885

“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.