SCHEMBL452736

SCHEMBL452736

COc1ccc(-c2cccc3c2CN(CCCCCC(=O)NOCc2ccccc2)C3=O)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GPR183 P32249 1/20 0.41
HDAC6 Q9UBN7 5/20 0.40
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
NCOR2 Q9Y618 1/20 0.40
PRKCZ Q05513 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
PDE4B Q07343 3/20 0.39
ABCB1 P08183 1/20 0.39

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
SCHEMBL449669 0.87 PIK3CG (0.45) ALDH1A1GPR183HDAC6HDAC3HDAC1
SCHEMBL450373 0.86 HDAC3 (0.42) ALDH1A1HDAC6HDAC3HDAC1HDAC4
SCHEMBL446499 0.86 POLB (0.41) ALDH1A1GPR183HDAC6HDAC3HDAC1
SCHEMBL450460 0.86 HDAC1 (0.50) ALDH1A1HDAC6HDAC3HDAC1HDAC4
SCHEMBL450192 0.84 HDAC3 (0.42) ALDH1A1HDAC6HDAC3HDAC1HDAC4
SCHEMBL449132 0.83 HDAC1 (0.44) ALDH1A1HDAC6HDAC3HDAC1HDAC4
SCHEMBL449076 0.82 DHPS (0.59) ALDH1A1HDAC6HDAC3HDAC1HDAC4
SCHEMBL446713 0.81 HDAC3 (0.46) ALDH1A1HDAC6HDAC3HDAC1HDAC4
SCHEMBL448264 0.80 HDAC6 (0.43) ALDH1A1GPR183HDAC6HDAC3HDAC1
SCHEMBL448030 0.77 HDAC3 (0.49) ALDH1A1HDAC6HDAC3HDAC1HDAC4

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 ALDH1A1 2138/4885GPR183 2185/4885HDAC6 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.