SCHEMBL4035342

SCHEMBL4035342

O=C(NCc1ccccc1)C1CN(C(=O)COc2ccccc2)CCN1S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.59
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
POLB P06746 2/20 0.53
MMP1 P03956 2/20 0.51
MMP3 P08254 2/20 0.51
MMP7 P09237 2/20 0.51
MMP9 P14780 2/20 0.51
MMP13 P45452 2/20 0.51
GAA P10253 2/20 0.48
TSHR P16473 3/20 0.47
GFER P55789 1/20 0.47
LMNA P02545 2/20 0.46
HSP90AA1 P07900 1/20 0.45
HCRTR1 O43613 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL6230533 0.95 MAPK1 (0.53) MAPK1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4033081 0.87 ALDH1A1 (0.52) MAPK1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4032606 0.86 GAA (0.57) MAPK1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL1385884 0.84 MAPK1 (0.59) MAPK1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4035389 0.84 MMP1 (0.55) MAPK1ALDH1A1SMN1; SMN2MMP1MMP3
SCHEMBL4032099 0.81 MAPK1 (0.55) MAPK1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL6261734 0.81 MAPK1 (0.55) MAPK1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4035477 0.79 MAPK1 (0.53) MAPK1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4033849 0.79 MAPK1 (0.53) MAPK1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL10064239 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTGAALMNA

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 6 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

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 MAPK1 3742/4885ALDH1A1 610/4885HPGD 745/4885

“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.