SCHEMBL1019016

SCHEMBL1019016

CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 4/20 0.54
NPC1 O15118 1/20 0.54
GALR3 O60755 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 9/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
BLM P54132 1/20 0.53
LMNA P02545 5/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HTT P42858 1/20 0.51
KDM1A O60341 1/20 0.50
POLB P06746 1/20 0.49
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL1018550 0.87 ALDH1A1 (0.48) SMN1; SMN2KDM4EALDH1A1L3MBTL1BLM
SCHEMBL1020775 0.87 ALDH1A1 (0.50) SMN1; SMN2KDM4EALDH1A1L3MBTL1BLM
SCHEMBL1017900 0.86 MEN1 (0.53) SMN1; SMN2KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL1020119 0.86 ALDH1A1 (0.47) KDM4EALDH1A1L3MBTL1BLMLMNA
SCHEMBL1512242 0.85 ALDH1A1 (0.58) SMN1; SMN2KDM4ENPC1GALR3RAB9A
SCHEMBL28052665 0.83 MEN1 (0.53) SMN1; SMN2KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL1019769 0.82 MEN1 (0.51) SMN1; SMN2KDM4ENPC1ALDH1A1L3MBTL1
SCHEMBL1018777 0.82 MEN1 (0.57) SMN1; SMN2KDM4ERAB9AALDH1A1L3MBTL1
SCHEMBL1020008 0.82 MEN1 (0.50) SMN1; SMN2KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL1019711 0.82 MEN1 (0.53) SMN1; SMN2KDM4ENPC1ALDH1A1L3MBTL1

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 SMN1; SMN2 4452/4885KDM4E 3490/4885NPC1 2/4885

“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.