SCHEMBL4032756

SCHEMBL4032756

O=C(NCc1ccccc1)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 3/20 0.46
PKM P14618 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.45
MMP1 P03956 2/20 0.45
MMP3 P08254 2/20 0.45
MMP7 P09237 2/20 0.45
MMP9 P14780 2/20 0.45
MMP13 P45452 1/20 0.45
TSHR P16473 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FKBP1A P62942 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
SCHEMBL4035013 0.94 MEN1 (0.46) ALDH1A1SMN1; SMN2RAB9ATDP1KMT2A
SCHEMBL4036042 0.92 PKM (0.53) ALDH1A1SMN1; SMN2RAB9APKMGAA
SCHEMBL4035588 0.88 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2APKMMEN1
SCHEMBL1382447 0.87 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2APKMMEN1
SCHEMBL4038120 0.86 GAA (0.49) ALDH1A1KMT2AMEN1GAAMMP1
SCHEMBL4032579 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAMMP1MMP3
SCHEMBL4038593 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RAB9APKMCYP2D6
SCHEMBL4032832 0.84 MEN1 (0.46) ALDH1A1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL4033588 0.83 USP2 (0.54) ALDH1A1SMN1; SMN2PKMGAA
SCHEMBL6189627 0.81 MMP1 (0.52) ALDH1A1GAAMMP1MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2201/4885RAB9A 4023/4885

“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.