SCHEMBL380504

SCHEMBL380504

CN(CCCN(C)C(=O)c1ccc(N)c(F)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC6 Q9UBN7 9/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDK2 Q15119 4/20 0.38
PDK1 Q15118 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
MCHR1 Q99705 1/20 0.38
MLYCD O95822 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 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
HPGD P15428 2/20 0.35

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
SCHEMBL8280051 0.84 HDAC1 (0.47) HDAC1HDAC3HDAC6PDK2PDK1
SCHEMBL767860 0.83 HDAC1 (0.48) HDAC1HDAC3HDAC6PDK2HDAC4
SCHEMBL380774 0.81 HDAC1 (0.45) HDAC1HDAC3HDAC6MCHR1MLYCD
SCHEMBL380426 0.79 KMT2A (0.42) HDAC1HDAC3HDAC6MEN1KMT2A
SCHEMBL380425 0.79 KMT2A (0.42) HDAC1HDAC3HDAC6MEN1KMT2A
SCHEMBL356994 0.77 HDAC1 (0.56) HDAC1HDAC6PDK2HPGDALDH1A1
SCHEMBL381330 0.76 HDAC6 (0.42) HDAC1HDAC3HDAC6ALDH1A1GAA
SCHEMBL14186525 0.74 PDK2 (0.52) HDAC1HDAC3HDAC6MEN1KMT2A
SCHEMBL380461 0.71 CRHBP (0.55) MEN1KMT2AALDH1A1ACHE
SCHEMBL4488661 0.71 PHLPP2 (0.53) HDAC1HDAC3HDAC6MCHR1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 EP 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 HDAC1 414/4885HDAC3 202/4885HDAC6 407/4885

“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.