SCHEMBL1018755

SCHEMBL1018755

O=C(Nc1ccccc1)Nc1ccc(C(=O)O)cn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.69
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
ADORA3 P0DMS8 1/20 0.61
PIM1 P11309 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA2B P29275 1/20 0.61
ADORA1 P30542 1/20 0.61
FLT3 P36888 1/20 0.61
PIM3 Q86V86 1/20 0.61
AURKB Q96GD4 1/20 0.61
DGAT1 O75907 5/20 0.59
TP53 P04637 1/20 0.55
EPHX1 P07099 1/20 0.55
TSHR P16473 1/20 0.55
EPHX2 P34913 1/20 0.55
CDK9 P50750 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
KMT2A Q03164 1/20 0.53

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
SCHEMBL1019375 0.85 PDGFRB (0.57) NPC1RAB9ASMN1; SMN2ADORA3PIM1
SCHEMBL6297858 0.82 MEN1 (0.72) NPC1RAB9ASMN1; SMN2KMT2AP4HTM
SCHEMBL71308 0.81 HCAR3 (1.00) HCAR3NPC1RAB9AAURKBKMT2A
SCHEMBL28513546 0.81 RAB9A (0.62) NPC1RAB9ASMN1; SMN2ADORA3PIM1
SCHEMBL27581139 0.81 RAB9A (0.73) NPC1RAB9ASMN1; SMN2ADORA3PIM1
SCHEMBL27578720 0.81 L3MBTL1 (0.77) NPC1RAB9ASMN1; SMN2ADORA3PIM1
SCHEMBL9954640 0.81 RAB9A (0.73) NPC1RAB9ASMN1; SMN2ADORA3PIM1
SCHEMBL3461453 0.81 RAB9A (0.62) NPC1RAB9ASMN1; SMN2ADORA3PIM1
SCHEMBL27874609 0.80 HCAR3 (0.69) HCAR3
SCHEMBL2664544 0.80 HCAR3 (1.00) HCAR3NPC1RAB9ASMN1; SMN2KMT2A

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 11 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
US-8314091-B2 N-benzyl,N'-arylcarbonylpiperazine derivatives MSD OSS B.V. (NL) 2012-11-20 US disclosed
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-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
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 US 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
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 HCAR3 710/4885NPC1 2/4885RAB9A 2035/4885

“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.