SCHEMBL1019375

SCHEMBL1019375

COC(=O)c1ccc(NC(=O)Nc2ccccc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.57
KDR P35968 1/20 0.57
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
ADORA3 P0DMS8 1/20 0.55
PIM1 P11309 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA2B P29275 1/20 0.55
ADORA1 P30542 1/20 0.55
FLT3 P36888 1/20 0.55
PIM3 Q86V86 1/20 0.55
AURKB Q96GD4 1/20 0.55
DGAT1 O75907 4/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 5/20 0.51
ALDH1A1 P00352 2/20 0.51

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
SCHEMBL4924419 0.86 RAB9A (0.71) KDRNPC1RAB9ASMN1; SMN2DGAT1
SCHEMBL1018755 0.85 HCAR3 (0.69) NPC1RAB9ASMN1; SMN2ADORA3PIM1
SCHEMBL64414 0.84 HCAR3 (0.71) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4917196 0.83 RAB9A (0.68) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14505713 0.82 HCAR3 (0.72) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4112603 0.81 MEN1 (0.75) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6447200 0.79 ALDH1A1 (0.74) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL27581139 0.79 RAB9A (0.73) NPC1RAB9ASMN1; SMN2ADORA3PIM1
SCHEMBL16054859 0.79 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1854705 0.79 MAPK1 (0.59) NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1

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 PDGFRB 1343/4885KDR 3132/4885NPC1 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.