SCHEMBL4169482

SCHEMBL4169482

O=C(N[C@@H](CCCSCC(=O)C(F)(F)F)C(=O)NC1CCCC1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PLOD2 O00469 1/20 0.43
PLOD3 O60568 1/20 0.43
PLOD1 Q02809 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL4171437 0.86 SIGMAR1 (0.47) SMN1; SMN2
SCHEMBL4156142 0.84 ROCK2 (0.38) L3MBTL1HDAC3HDAC4HDAC1HDAC2
SCHEMBL4168844 0.83 PLOD2 (0.46) PLOD2PLOD3PLOD1HDAC3HDAC4
Trifluoroacetic Acid SCHEMBL4157968 0.81 PADI4 (0.49) PLOD2PLOD3PLOD1HDAC3HDAC4
SCHEMBL4174326 0.80 KMT2A (0.52) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4159631 0.80 HDAC4 (0.47) ALDH1A1PLOD2PLOD3PLOD1L3MBTL1
SCHEMBL4159834 0.79 EPHX2 (0.43) ALDH1A1SMN1; SMN2PLOD2PLOD3PLOD1
SCHEMBL4158976 0.79 HDAC4 (0.53) ALDH1A1HTTHDAC3HDAC4HDAC1
SCHEMBL4159149 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HTTHDAC3HDAC4
Trifluoroacetic Acid SCHEMBL4165152 0.77 ALDH1A1 (0.39) ALDH1A1L3MBTL1HDAC3HDAC4HDAC1

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 ALDH1A1 320/4885SMN1; SMN2 1280/4885PLOD2 3354/4885

“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.