SCHEMBL4033382

SCHEMBL4033382

O=C(NC1CCc2ccccc21)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
UBE2N P61088 1/20 0.38
NPY1R P25929 2/20 0.38
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL4034864 0.88 ALDH1A1 (0.52) POLBHTTKMT2AALDH1A1GAA
SCHEMBL4038593 0.81 ALDH1A1 (0.51) POLBHTTALDH1A1L3MBTL1CYP2D6
SCHEMBL4033401 0.79 MMP1 (0.54) POLBHTTALDH1A1GAAPKM
SCHEMBL4032756 0.79 ALDH1A1 (0.51) KMT2AALDH1A1L3MBTL1CYP2D6CYP2C9
SCHEMBL4036042 0.78 PKM (0.53) HTTALDH1A1L3MBTL1CYP2D6CYP2C9
SCHEMBL1382447 0.78 ALDH1A1 (0.46) POLBKMT2AALDH1A1L3MBTL1CYP2D6
SCHEMBL4033044 0.77 NPY1R (0.42) POLBHTTKMT2AALDH1A1USP2
SCHEMBL4038120 0.77 GAA (0.49) KMT2AALDH1A1L3MBTL1CYP2D6CYP2C9
SCHEMBL4032832 0.76 MEN1 (0.46) POLBHTTKMT2AALDH1A1L3MBTL1
SCHEMBL4035013 0.76 MEN1 (0.46) POLBKMT2AALDH1A1PKMSMN1; SMN2

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 5 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
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 POLB 1416/4885HTT 3916/4885KMT2A 396/4885

“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.