SCHEMBL450589

SCHEMBL450589

CC1(F)C=CC(c2ccc3c(c2)CN(CCCCCC(=O)NOCc2ccccc2)C3=O)C(F)=C1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.40
HDAC3 O15379 5/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
S1PR1 P21453 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
NCOR2 Q9Y618 1/20 0.35
TSHR P16473 4/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 2/20 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
SCHEMBL449636 0.77 HDAC6 (0.49) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL448030 0.77 HDAC3 (0.49) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL449644 0.77 HDAC3 (0.46) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL452164 0.75 HDAC6 (0.48) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL450590 0.75 HDAC6 (0.45) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL449669 0.74 PIK3CG (0.45) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL448264 0.73 HDAC6 (0.43) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL446681 0.71 HDAC6 (0.44) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL450192 0.69 HDAC3 (0.42) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL450373 0.68 HDAC3 (0.42) HDAC6HDAC3HDAC1HDAC8HDAC4

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 HDAC6 467/4885HDAC3 638/4885HDAC1 761/4885

“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.