SCHEMBL4032496

SCHEMBL4032496

COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)C(C(=O)NCC(C)c3ccccc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPK1 P28482 3/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 1/20 0.50
LMNA P02545 2/20 0.48
HSP90AA1 P07900 1/20 0.48
HTT P42858 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 4/20 0.45
POLB P06746 1/20 0.45
MMP1 P03956 4/20 0.45
MMP3 P08254 4/20 0.45
MMP13 P45452 4/20 0.45
MMP7 P09237 3/20 0.45
MMP9 P14780 3/20 0.45
TSHR P16473 1/20 0.43

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
SCHEMBL4036850 0.94 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPK1GAAHPGD
SCHEMBL4035404 0.89 GAA (0.55) ALDH1A1SMN1; SMN2MAPK1GAAHPGD
SCHEMBL6192513 0.88 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPK1GAAHPGD
SCHEMBL4034739 0.87 GAA (0.53) ALDH1A1SMN1; SMN2MAPK1GAAHPGD
SCHEMBL4033832 0.86 MMP1 (0.49) MMP1MMP3MMP13MMP7MMP9
SCHEMBL4037109 0.84 GAA (0.57) ALDH1A1SMN1; SMN2MAPK1GAAHPGD
SCHEMBL4034935 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPK1GAAHPGD
SCHEMBL4033096 0.83 GAA (0.60) ALDH1A1SMN1; SMN2MAPK1GAAHPGD
SCHEMBL1384878 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPK1GAAHPGD
SCHEMBL4033581 0.81 GAA (0.57) ALDH1A1MAPK1GAAHPGDHTT

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 8 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
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 ALDH1A1 610/4885SMN1; SMN2 2201/4885MAPK1 3742/4885

“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.