SCHEMBL447178

SCHEMBL447178

CC(C)(C)OC(=O)N(NC(=O)CCCCCN1Cc2c(cccc2-c2cncnc2)C1=O)c1ccc(-c2cccs2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
HDAC1 Q13547 7/20 0.32
HDAC6 Q9UBN7 6/20 0.32
DHPS P49366 1/20 0.32
HDAC3 O15379 5/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC4 P56524 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL449977 0.89 HDAC1 (0.35) DRD2DRD4DRD3HDAC1HDAC6
SCHEMBL449808 0.83 DHPS (0.42) DRD2DRD4HDAC1HDAC6DHPS
SCHEMBL447177 0.83 HDAC1 (0.38) DRD2DRD4DRD3HDAC1HDAC6
SCHEMBL446548 0.78 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL447156 0.78 HDAC1 (0.38) DRD2DRD4DRD3HDAC1HDAC6
SCHEMBL449992 0.71 DRD4 (0.36) DRD2DRD4HDAC1HDAC6DHPS
SCHEMBL449976 0.71 HDAC1 (0.39) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL449807 0.69 HDAC1 (0.41) HDAC1DHPSHDAC3HDAC2HDAC8
SCHEMBL450315 0.68 MEN1 (0.39) DRD2DRD4HDAC1HDAC6DHPS
SCHEMBL448667 0.66 DHPS (0.57) HDAC1HDAC6DHPSHDAC3HDAC2

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 2 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
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

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 DRD2 1287/4885DRD4 2384/4885DRD3 1267/4885

“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.