SCHEMBL4034875

SCHEMBL4034875

O=C(NCc1ccc2c(c1)OCO2)C1CN(C(=O)C=Cc2ccccc2)CCN1S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
ITGB3 P05106 1/20 0.51
ITGAV P06756 1/20 0.51
MAPK1 P28482 3/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.47
GAA P10253 2/20 0.47
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RECQL P46063 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 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
SCHEMBL4034872 1.00 LMNA (0.61) LMNAITGB3ITGAVMAPK1PKM
SCHEMBL4038410 0.87 MAPT (0.48) LMNAITGB3ITGAVMAPK1ALDH1A1
SCHEMBL4032810 0.86 LMNA (0.62) LMNAITGB3ITGAVMAPK1PKM
SCHEMBL4035095 0.82 LMNA (0.60) LMNAITGB3ITGAVMAPK1PKM
SCHEMBL4035342 0.75 MAPK1 (0.59) LMNAMAPK1ALDH1A1HTTHPGD
SCHEMBL1385884 0.74 MAPK1 (0.59) LMNAMAPK1PKMALDH1A1HTT
SCHEMBL6230533 0.73 MAPK1 (0.53) LMNAMAPK1PKMALDH1A1HTT
SCHEMBL4037487 0.73 MAPT (0.49) LMNAITGB3ITGAVMAPK1PKM
SCHEMBL4033190 0.73 MAPT (0.65) LMNAMAPK1PKMALDH1A1HTT
SCHEMBL4033849 0.73 MAPK1 (0.53) LMNAMAPK1ALDH1A1HTTHPGD

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
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
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP disclosed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 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-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R LMNA 976/4885ITGB3 2980/4885ITGAV 3691/4885

“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.