SCHEMBL4587332

SCHEMBL4587332

C[N]C(=O)CNC(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 2/20 0.53
TSHR P16473 1/20 0.53
EPHX2 P34913 1/20 0.53
CDK9 P50750 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
KDM4E B2RXH2 2/20 0.49
ABAT P80404 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL4589237 0.87 HPGD (0.54) EPHX1SMN1; SMN2RAB9ANPC1HPGD
Phenylhydantoic Acid SCHEMBL333005 0.80 ABAT (0.67) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL8505335 0.78 PKM (0.50) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL4589133 0.78 SMN1; SMN2 (0.60) EPHX1SMN1; SMN2TP53EPHX2RAB9A
SCHEMBL15502277 0.77 EPHX1 (0.67) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL5352692 0.77 LMNA (0.65) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL4406535 0.77 EPHX1 (0.59) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL4589723 0.77 EPHX1 (0.59) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL22170207 0.76 EPHX1 (0.53) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL340246 0.76 EPHX1 (0.64) EPHX1SMN1; SMN2TP53TSHREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-30 US disclosed
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US disclosed
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents BAUMAN JOHN G 2006-06-22 US disclosed
US-6977258-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-20 US disclosed
US-6972290-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-06 US disclosed
US-20050192282-A1 Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-01 US disclosed
EP-1254899-B1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2005-05-25 EP disclosed
US-20050043318-A1 Chemokine inhibiting piperazine derivatives and their use to treat myocarditis SCHERING AKTIEGESELLSCHAFT (DE) 2005-02-24 US disclosed
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 US disclosed
US-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-24 US disclosed
US-6573266-B1 Compounds used for treating multitiple sclerosis and encephalomyelitis SCHERING AKTIENGESELLSCHAFT (DE) 2003-06-03 US disclosed
US-6555537-B2 Inhibit activity of chemokines, macrophage inflammatory protein-1 (MIP-1 alpha) and RANTES; 1-((4-chlorophenoxy)methyl)-carbonyl-2-methyl-4-(4-fluorobenzyl)piperazine for example SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-29 US disclosed
US-6541476-B1 Treating multiple sclerosis or encephalomyelitis in a human SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
US-6534509-B1 Derivatives are useful as anti-inflammatory agents. This invention is also directed to pharmacetutical compostions for inflammation SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-18 US disclosed
EP-0988292-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2003-02-12 EP disclosed
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGSCHELLSCHAFT 2002-11-28 US disclosed
EP-1254899-A2 Piperazine derivatives and their use as anti-inflammatory agents Schering Aktiengesellschaft (DE) 2002-11-06 EP disclosed
US-6207665-B1 TO TREAT INFLAMMATORY DISORDERS IN HUMANS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-27 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 (8 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-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES EPHX1 838/4885SMN1; SMN2 4729/4885TP53 4594/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES EPHX1 838/4885SMN1; SMN2 4729/4885TP53 4594/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 EPHX1 987/4885SMN1; SMN2 4250/4885TP53 4187/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES EPHX1 838/4885SMN1; SMN2 4729/4885TP53 4594/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES EPHX1 838/4885SMN1; SMN2 4729/4885TP53 4594/4885
US-20050192282-A1 Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma CCL2, CCL11, CCL5 EPHX1 2046/4885SMN1; SMN2 4320/4885TP53 1130/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 EPHX1 1403/4885SMN1; SMN2 4648/4885TP53 2330/4885
US-20050043318-A1 Chemokine inhibiting piperazine derivatives and their use to treat myocarditis CCL2, CCR2, CXCL10 EPHX1 987/4885SMN1; SMN2 4250/4885TP53 4187/4885

“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.