SCHEMBL1380872

SCHEMBL1380872

CC(CNC(=O)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
ADAM17 P78536 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.42
ATM Q13315 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4032869 0.83 POLB (0.46) ALDH1A1POLBGAAADAM17KMT2A
SCHEMBL4035627 0.78 ALDH1A1 (0.48) ALDH1A1POLBGAALMNAHTT
SCHEMBL4034975 0.78 GAA (0.52) ALDH1A1POLBGAAKMT2AHTT
SCHEMBL4032488 0.77 POLB (0.46) ALDH1A1POLBKMT2ACYP2D6CYP2C9
SCHEMBL4034722 0.75 F10 (0.46) POLBADAM17LMNAATM
SCHEMBL4038110 0.73 F2 (0.50) ALDH1A1GAAADAM17CA1CA2
SCHEMBL28599278 0.70 PTGES (0.45) ALDH1A1POLBADAM17CA1CA2
SCHEMBL28919583 0.70 PTGES (0.46) ALDH1A1POLBADAM17CA1CA2
SCHEMBL4033088 0.70 ALDH1A1 (0.68) ALDH1A1POLBGAAKMT2AUSP2
SCHEMBL28618883 0.69 PTGES (0.47) ALDH1A1POLBADAM17CA1CA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4825664-B2 2011-11-30 JP 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-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP claimed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO 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 610/4885POLB 1416/4885GAA 4649/4885

“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.