SCHEMBL4169059

SCHEMBL4169059

CC(C)CCC(=O)NC(=O)[C@H](CCCSCC(=O)C(F)(F)F)NCc1csc(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
SHMT1 P34896 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HPGD P15428 3/20 0.37
ACKR3 P25106 1/20 0.36
CES1 P23141 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 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
SCHEMBL4160443 0.92 KDM4E (0.39) KDM4ELMNAHTTSHMT1ALDH1A1
SCHEMBL4166894 0.89 KDM4E (0.43) KDM4ELMNAHTTSHMT1ALDH1A1
SCHEMBL4160768 0.88 HPGD (0.40) KDM4ELMNAHTTSHMT1ALDH1A1
SCHEMBL4163442 0.86 ACKR3 (0.44) KDM4ELMNAHTTSHMT1ALDH1A1
SCHEMBL4151885 0.81 KMT2A (0.43) KDM4ELMNAHTTALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL4165163 0.80 SIRT2 (0.38) HDAC1HDAC2CES1HDAC3HDAC4
SCHEMBL4149913 0.77 SMN1; SMN2 (0.43) KDM4ELMNAHTTSHMT1ALDH1A1
SCHEMBL4174440 0.76 SHMT1 (0.41) KDM4ELMNAHTTSHMT1ALDH1A1
SCHEMBL4159878 0.74 ROCK2 (0.45) KDM4ELMNAALDH1A1GAAHDAC1
Trifluoroacetic Acid SCHEMBL4171628 0.73 CCR2 (0.38) LMNAALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC5, HDAC1, HDAC11 KDM4E 286/4885LMNA 3720/4885HTT 50/4885

“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.