SCHEMBL4032374

SCHEMBL4032374

CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)C(C(=O)NCc3ccc(Cl)cc3Cl)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
P2RX7 Q99572 6/20 0.45
POLB P06746 3/20 0.44
GAA P10253 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HCRTR1 O43613 1/20 0.42
KMT2A Q03164 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
MAPT P10636 3/20 0.42
EPHX2 P34913 1/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4036674 0.91 ALDH1A1 (0.53) ALDH1A1HPGDP2RX7POLBGAA
SCHEMBL4035551 0.88 ALDH1A1 (0.56) ALDH1A1HPGDP2RX7POLBGAA
SCHEMBL4032375 0.88 CA12 (0.46) P2RX7CA12CA1CA2CA9
SCHEMBL4037666 0.86 ALDH1A1 (0.52) ALDH1A1HPGDP2RX7HCRTR1KMT2A
SCHEMBL4032099 0.86 MAPK1 (0.55) ALDH1A1HPGDPOLBGAAHCRTR1
SCHEMBL4035095 0.84 LMNA (0.60) ALDH1A1HPGDPOLBGAAKMT2A
SCHEMBL4033310 0.82 ALDH1A1 (0.51) ALDH1A1HPGDP2RX7GAAHCRTR1
SCHEMBL4036762 0.82 ALDH1A1 (0.47) ALDH1A1HPGDPOLBGAAHCRTR1
SCHEMBL1381658 0.82 GAA (0.52) ALDH1A1HPGDPOLBGAAHCRTR1
SCHEMBL4033081 0.82 ALDH1A1 (0.52) ALDH1A1HPGDP2RX7POLBGAA

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
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP disclosed
EP-2049107-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES Genfit (FR) 2009-04-22 EP disclosed
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 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 ALDH1A1 610/4885HPGD 745/4885P2RX7 31/4885

“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.