SCHEMBL1019798

SCHEMBL1019798

Cc1ccc(F)c(C(=O)NC(C)(C)C)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 4/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
ANO1 Q5XXA6 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
HDAC3 O15379 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

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
SCHEMBL8569020 0.80 GAA (0.44) HTTHDAC1HDAC6NPC1RAB9A
SCHEMBL18131339 0.79 CES2 (0.44) POLBAPEX1HTTNPC1RAB9A
SCHEMBL6421901 0.78 MEN1 (0.50) POLBAPEX1HTTNPC1RAB9A
SCHEMBL1020490 0.78 POLB (0.39) POLBAPEX1HTTANO1LMNA
SCHEMBL26054600 0.77 CES2 (0.34) HTTHDAC1HDAC6KDM4CHDAC3
SCHEMBL697516 0.74 PKM (0.39) HTTHDAC1HDAC6KDM4CHDAC3
SCHEMBL1018937 0.74 MEN1 (0.42) HTTHDAC1HDAC6MAPK1HPGD
SCHEMBL18177846 0.73 HTT (0.45) POLBAPEX1HTTTP53KDM4C
SCHEMBL3205636 0.73 CA12 (0.44) POLBHDAC1HDAC6NPC1RAB9A
SCHEMBL1019188 0.72 KAT6A (0.51) POLBAPEX1HTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314091-B2 N-benzyl,N'-arylcarbonylpiperazine derivatives MSD OSS B.V. (NL) 2012-11-20 US disclosed
EP-2190827-B1 N-BENZYL-N'-ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-01-12 EP disclosed
EP-2190827-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. Organon (NL) 2010-06-02 EP disclosed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 US disclosed
WO-2009024550-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. ORGANON (NL) 2009-02-26 WO 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-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES NPC1L1, NPC1, ABCB11 POLB 2799/4885APEX1 3621/4885HTT 2073/4885

“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.