SCHEMBL452641

SCHEMBL452641

O=C(CCCCCN1Cc2c(cccc2-c2cc(F)cc(F)c2)C1=O)NO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.51
HDAC8 Q9BY41 15/20 0.49
HDAC1 Q13547 15/20 0.49
HDAC3 O15379 13/20 0.49
HDAC11 Q96DB2 13/20 0.49
HDAC2 Q92769 13/20 0.49
HDAC4 P56524 12/20 0.49
HDAC7 Q8WUI4 12/20 0.49
HDAC10 Q969S8 12/20 0.49
HDAC9 Q9UKV0 12/20 0.49
HDAC5 Q9UQL6 12/20 0.49
NCOR2 Q9Y618 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
LTA4H P09960 1/20 0.47
KMT2A Q03164 1/20 0.47
TUBB4A P04350 4/20 0.43
TUBB P07437 4/20 0.43
TUBA3C P0DPH7 4/20 0.43
TUBA1B P68363 4/20 0.43

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
SCHEMBL450374 0.87 HDAC6 (0.56) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL450192 0.84 HDAC3 (0.42) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL448767 0.83 HDAC1 (0.50) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL448667 0.82 DHPS (0.57) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL450460 0.81 HDAC1 (0.50) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL450151 0.81 HDAC6 (0.58) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL446886 0.76 HDAC1 (0.51) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL24136240 0.73 HDAC8 (0.67) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL450529 0.73 DRD2 (0.46) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL449686 0.72 HDAC1 (0.73) HDAC6HDAC8HDAC1HDAC3HDAC11

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429987-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute Of Chemical Technology (KR) 2012-03-21 EP claimed
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 claimed
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 WO claimed
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 HDAC6 467/4885HDAC8 1074/4885HDAC1 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.