SCHEMBL4036674

SCHEMBL4036674

O=C(NCc1ccc(Cl)cc1Cl)C1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.49
P2RX7 Q99572 5/20 0.47
GAA P10253 1/20 0.45
EPHX2 P34913 5/20 0.45
MAPT P10636 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.44
HCRTR1 O43613 1/20 0.44
KMT2A Q03164 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
SCHEMBL4037666 0.92 ALDH1A1 (0.52) ALDH1A1HPGDMAPK1P2RX7EPHX2
SCHEMBL4032374 0.91 ALDH1A1 (0.49) ALDH1A1HPGDMAPK1P2RX7GAA
SCHEMBL4035551 0.91 ALDH1A1 (0.56) ALDH1A1HPGDMAPK1P2RX7GAA
SCHEMBL4033310 0.89 ALDH1A1 (0.51) ALDH1A1HPGDMAPK1P2RX7GAA
SCHEMBL4033081 0.88 ALDH1A1 (0.52) ALDH1A1HPGDMAPK1P2RX7GAA
SCHEMBL4036678 0.86 CA12 (0.47) P2RX7EPHX2CA12CA1CA2
SCHEMBL4038764 0.85 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1P2RX7MAPT
SCHEMBL1384878 0.83 ALDH1A1 (0.55) ALDH1A1HPGDMAPK1P2RX7GAA
SCHEMBL4033651 0.82 GAA (0.56) ALDH1A1HPGDMAPK1GAAMAPT
SCHEMBL4034713 0.82 ALDH1A1 (0.44) ALDH1A1HPGDMAPK1P2RX7EPHX2

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

“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.