SCHEMBL4036042

SCHEMBL4036042

O=C(NCc1cccs1)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 8/20 0.48
USP2 O75604 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
GLA P06280 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 3/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL4033588 0.92 USP2 (0.54) PKMKDM4EALDH1A1USP2GAA
SCHEMBL4032756 0.92 ALDH1A1 (0.51) PKMALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL4035588 0.89 ALDH1A1 (0.59) PKMKDM4EALDH1A1USP2GAA
SCHEMBL4035013 0.88 MEN1 (0.46) PKMALDH1A1SMN1; SMN2RAB9ATP53
SCHEMBL1382447 0.86 ALDH1A1 (0.46) PKMALDH1A1USP2GAASMN1; SMN2
SCHEMBL4038120 0.86 GAA (0.49) ALDH1A1GAACYP2D6CYP2C9CYP2C19
SCHEMBL4038593 0.84 ALDH1A1 (0.51) PKMALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL14499825 0.83 GAA (0.51) PKMKDM4EALDH1A1USP2GAA
SCHEMBL4032832 0.81 MEN1 (0.46) ALDH1A1GAASMN1; SMN2HTTRAB9A
SCHEMBL14499826 0.80 IDE (0.49) KDM4EALDH1A1SMN1; SMN2HTTRAB9A

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 PKM 1747/4885KDM4E 593/4885ALDH1A1 610/4885

“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.