SCHEMBL4174326

SCHEMBL4174326

O=C(N[C@@H](CCCSCC(=O)C(F)(F)F)C(=O)NCCc1ccccc1)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.48
EPHX2 P34913 3/20 0.48
CES1 P23141 1/20 0.46
MAPT P10636 1/20 0.42
GRIA1 P42261 1/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CTSV O60911 1/20 0.42
CTSS P25774 1/20 0.42
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42

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
SCHEMBL4159834 0.85 EPHX2 (0.43) NPC1RAB9ASMN1; SMN2LMNAEPHX2
SCHEMBL4168844 0.82 PLOD2 (0.46) LMNAEPHX2HDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL4157968 0.82 PADI4 (0.49) LMNAEPHX2HDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL4165152 0.81 ALDH1A1 (0.39) KMT2ALMNAGRIA1CTSSHDAC3
SCHEMBL4169482 0.80 ALDH1A1 (0.45) RAB9ASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL4159149 0.80 ALDH1A1 (0.52) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4159631 0.79 HDAC4 (0.47) KMT2AMEN1LMNAMAPTHDAC3
Trifluoroacetic Acid SCHEMBL4171437 0.79 SIGMAR1 (0.47) SMN1; SMN2LMNAMAPT
SCHEMBL4158976 0.79 HDAC4 (0.53) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL4156445 0.76 CES1 (0.59) KMT2ACES1HDAC3HDAC4HDAC1

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 KMT2A 20/4885MEN1 3953/4885NPC1 1625/4885

“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.