SCHEMBL1021744

SCHEMBL1021744

CC(C)(C)NC(=O)c1cccc(CBr)c1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KAT6A Q92794 2/20 0.42
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
ANO1 Q5XXA6 7/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL27792113 0.88 MAPT (0.43) MAPTMEN1KMT2AKAT6APOLB
SCHEMBL6416530 0.79 CES2 (0.55) MAPTMEN1KMT2AKAT6APOLB
SCHEMBL1019188 0.78 KAT6A (0.51) MAPTMEN1KMT2AKAT6APOLB
SCHEMBL26162681 0.77 KAT6A (0.38) KMT2AKAT6AKDM4ESMN1; SMN2NPC1
SCHEMBL30469438 0.76 ALDH1A1 (0.51) MAPTKMT2APOLBKDM4EHSD17B10
SCHEMBL1052962 0.76 ALDH1A1 (0.51) MAPTKMT2APOLBKDM4EHSD17B10
SCHEMBL15000886 0.76 MRGPRX4 (0.39) KAT6A
SCHEMBL1020490 0.76 POLB (0.39) POLBAPEX1ANO1HTT
SCHEMBL1021002 0.75 LMNA (0.43) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL1646172 0.75 MRGPRX4 (0.48) KAT6A

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 MAPT 3316/4885MEN1 4243/4885KMT2A 4268/4885

“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.