SCHEMBL4037427

SCHEMBL4037427

C=CCNC(=O)[C@H]1CN(C(=O)O)CCN1S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
GFER P55789 1/20 0.52
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.51
GAA P10253 3/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
HCRTR1 O43613 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL4035463 0.89 GAA (0.53) TSHRGFERALDH1A1HPGDGAA
SCHEMBL4037270 0.88 ALDH1A1 (0.51) TSHRGFERALDH1A1HPGDGAA
SCHEMBL14499802 0.88 ALDH1A1 (0.51) TSHRGFERALDH1A1HPGDGAA
SCHEMBL4036669 0.85 ALDH1A1 (0.49) TSHRGFERALDH1A1HPGDGAA
SCHEMBL4035586 0.84 ALDH1A1 (0.52) TSHRGFERALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL1380566 0.83 ALDH1A1 (0.51) TSHRGFERALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL4365526 0.83 ALDH1A1 (0.49) TSHRGFERALDH1A1HPGDGAA
SCHEMBL4033037 0.83 SMN1; SMN2 (0.49) TSHRGFERALDH1A1HPGDGAA
SCHEMBL4035900 0.83 SMN1; SMN2 (0.49) TSHRGFERALDH1A1HPGDGAA
SCHEMBL1382418 0.83 SMN1; SMN2 (0.49) TSHRGFERALDH1A1HPGDGAA

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
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 TSHR 1619/4885GFER 1828/4885ALDH1A1 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.