SCHEMBL1383797

SCHEMBL1383797

O=C(NCc1ccco1)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
ALDH1A1 P00352 6/20 0.60
USP2 O75604 1/20 0.54
HPGD P15428 2/20 0.51
GAA P10253 2/20 0.51
MAPK1 P28482 2/20 0.47
TSHR P16473 3/20 0.44
GFER P55789 1/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HCRTR1 O43613 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL1385884 0.89 MAPK1 (0.59) PKMALDH1A1USP2HPGDGAA
SCHEMBL4033483 0.88 PKM (0.53) PKMALDH1A1USP2HPGDGAA
SCHEMBL14499827 0.88 GAA (0.53) PKMALDH1A1USP2HPGDGAA
SCHEMBL6261734 0.87 MAPK1 (0.55) ALDH1A1USP2HPGDGAAMAPK1
SCHEMBL14499825 0.86 GAA (0.51) PKMALDH1A1USP2HPGDGAA
SCHEMBL4035477 0.85 MAPK1 (0.53) ALDH1A1HPGDGAAMAPK1TSHR
SCHEMBL4033849 0.85 MAPK1 (0.53) ALDH1A1USP2HPGDGAAMAPK1
SCHEMBL4038385 0.85 ALDH1A1 (0.57) PKMALDH1A1USP2GAAPOLB
SCHEMBL4035171 0.85 GAA (0.52) ALDH1A1USP2HPGDGAAMAPK1
SCHEMBL4037109 0.84 GAA (0.57) ALDH1A1USP2HPGDGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US claimed
JP-4825664-B2 2011-11-30 JP claimed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US claimed
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP claimed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO claimed
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US 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-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R PKM 1747/4885ALDH1A1 610/4885USP2 2122/4885

“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.