SCHEMBL452604

SCHEMBL452604

COC(=O)CCCCCNC(=O)c1ccc(-c2ccccc2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
HDAC1 Q13547 6/20 0.50
HDAC2 Q92769 6/20 0.50
HDAC3 O15379 6/20 0.50
HDAC4 P56524 5/20 0.50
HDAC7 Q8WUI4 5/20 0.50
HDAC10 Q969S8 5/20 0.50
HDAC11 Q96DB2 5/20 0.50
HDAC8 Q9BY41 5/20 0.50
HDAC6 Q9UBN7 5/20 0.50
HDAC9 Q9UKV0 5/20 0.50
HDAC5 Q9UQL6 5/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
MAPK1 P28482 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
PTAFR P25105 1/20 0.47

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
SCHEMBL449165 0.89 MAPK1 (0.61) POLBHDAC1HDAC2HDAC3HDAC4
SCHEMBL449726 0.86 HDAC6 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL437169 0.83 ALDH1A1 (0.55) MAPTDRD2DRD3MAPK1RAB9A
SCHEMBL12672001 0.81 NAAA (0.67) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL451696 0.81 LMNA (0.54) POLBHDAC1HDAC2HDAC3HDAC4
SCHEMBL446981 0.80 HDAC3 (0.79) HDAC1HDAC2HDAC3HDAC8
SCHEMBL1232687 0.79 HDAC1 (0.70) POLBHDAC1HDAC2HDAC3HDAC4
SCHEMBL1231643 0.79 HDAC1 (0.70) POLBHDAC1HDAC2HDAC3HDAC4
SCHEMBL1888791 0.79 HDAC1 (0.70) POLBHDAC1HDAC2HDAC3HDAC4
SCHEMBL1233341 0.78 NR1H4 (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7

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 POLB 1311/4885HDAC1 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.