SCHEMBL4156249

SCHEMBL4156249

O=C(CCCCSCC(=O)C(F)(F)F)Nc1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HDAC1 Q13547 8/20 0.53
HDAC2 Q92769 8/20 0.53
CYP1A2 P05177 2/20 0.52
HDAC3 O15379 6/20 0.51
HDAC4 P56524 6/20 0.51
HDAC7 Q8WUI4 6/20 0.51
HDAC10 Q969S8 6/20 0.51
HDAC11 Q96DB2 6/20 0.51
HDAC8 Q9BY41 6/20 0.51
HDAC6 Q9UBN7 6/20 0.51
HDAC9 Q9UKV0 6/20 0.51
HDAC5 Q9UQL6 6/20 0.51
NCOR1 O75376 1/20 0.51
MAPT P10636 6/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49

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
SCHEMBL4156245 0.83 CES1 (0.44) LMNANPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL4607191 0.78 FABP4 (0.48) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4165180 0.77 HDAC3 (0.58) LMNASMN1; SMN2HDAC1HDAC2HDAC3
SCHEMBL12658954 0.74 NPC1 (0.74) LMNANPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL7203505 0.74 RAB9A (1.00) LMNANPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL1193340 0.74 RAB9A (0.74) LMNANPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL12672516 0.74 NPC1 (0.74) LMNANPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL30445477 0.73 RAB9A (0.76) LMNANPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL28931481 0.73 RAB9A (0.91) LMNANPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL4606757 0.73 HDAC1 (0.41) LMNANPC1RAB9ASMN1; SMN2HDAC1

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 LMNA 3720/4885NPC1 1625/4885RAB9A 1138/4885

“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.