SCHEMBL449977

SCHEMBL449977

CC(C)(C)OC(=O)N(NC(=O)CCCCCN1Cc2c(Br)cccc2C1=O)c1ccc(-c2cccs2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.35
HDAC6 Q9UBN7 9/20 0.35
HDAC3 O15379 7/20 0.34
HDAC2 Q92769 5/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
GPR119 Q8TDV5 1/20 0.33
HDAC8 Q9BY41 6/20 0.33
HDAC4 P56524 4/20 0.33
HDAC7 Q8WUI4 4/20 0.33
HDAC10 Q969S8 4/20 0.33
HDAC11 Q96DB2 4/20 0.33
HDAC9 Q9UKV0 4/20 0.33
HDAC5 Q9UQL6 4/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 3/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL447178 0.89 DRD2 (0.32) HDAC1HDAC6HDAC3HDAC2DRD2
SCHEMBL449992 0.82 DRD4 (0.36) HDAC1HDAC6HDAC2DRD2DRD4
SCHEMBL449976 0.82 HDAC1 (0.39) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL449230 0.72 HDAC6 (0.42) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL449808 0.71 DHPS (0.42) HDAC1HDAC6HDAC3HDAC2DRD2
SCHEMBL447177 0.71 HDAC1 (0.38) HDAC1HDAC6HDAC3HDAC2DRD2
SCHEMBL2728733 0.69 KDM4E (0.40) HDAC1HDAC6HDAC3HDAC8ALDH1A1
SCHEMBL450241 0.68 KDM4E (0.53) HDAC1HDAC6HDAC3HDAC2DRD2
SCHEMBL449991 0.67 HDAC1 (0.43) HDAC1HDAC3HDAC2
SCHEMBL446713 0.66 HDAC3 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC8

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 761/4885HDAC6 467/4885HDAC3 638/4885

“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.