SCHEMBL1381941

SCHEMBL1381941

CCCCCc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)C(C(=O)NCc3ccco3)C2)c(=O)o1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.44
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
ATM Q13315 1/20 0.39
GFER P55789 1/20 0.39
ALOX15 P16050 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
HCRTR1 O43613 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL6209732 0.91 ALDH1A1 (0.45) PKMALDH1A1HPGDMAPK1MAPT
SCHEMBL1386085 0.91 MAPK1 (0.51) PKMALDH1A1HPGDMAPK1MAPT
SCHEMBL4037876 0.87 ALDH1A1 (0.46) PKMALDH1A1HPGDUSP2HSD17B10
SCHEMBL4034713 0.87 ALDH1A1 (0.44) PKMALDH1A1HPGDMAPK1MAPT
SCHEMBL4033608 0.80 ALOX15 (0.41) ALDH1A1HPGDMAPK1MAPTPOLB
SCHEMBL6209492 0.80 ALOX15 (0.41) ALDH1A1HPGDMAPK1MAPTPOLB
SCHEMBL4035745 0.78 MMP1 (0.40) ALDH1A1USP2MAPK1GAA
SCHEMBL1383797 0.77 PKM (0.60) PKMALDH1A1HPGDUSP2HSD17B10
SCHEMBL1382194 0.77 PKM (0.61) PKMALDH1A1HPGDUSP2HSD17B10
SCHEMBL4032519 0.76 ALDH1A1 (0.62) PKMALDH1A1HPGDUSP2HSD17B10

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 9 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
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

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 610/4885HPGD 745/4885

“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.