SCHEMBL447156

SCHEMBL447156

CC(C)(C)NC(=O)Oc1ccc(-c2cccs2)cc1NC(=O)CCCCCN1Cc2c(cccc2-c2cncnc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.38
HDAC3 O15379 7/20 0.38
HDAC2 Q92769 9/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EGFR P00533 1/20 0.32
FGFR1 P11362 1/20 0.32

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
SCHEMBL447177 0.86 HDAC1 (0.38) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL446548 0.85 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL447178 0.78 DRD2 (0.32) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL449976 0.75 HDAC1 (0.39) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL452168 0.73 KDM4E (0.42) HDAC1HDAC2MEN1KMT2A
SCHEMBL449807 0.70 HDAC1 (0.41) HDAC1HDAC3HDAC2HDAC8
SCHEMBL450831 0.68 HDAC1 (0.52) HDAC1HDAC3HDAC2
SCHEMBL448022 0.66 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL449977 0.66 HDAC1 (0.35) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL450460 0.66 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC6HDAC4

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 HDAC1 761/4885HDAC3 638/4885HDAC2 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.