SCHEMBL4588477

SCHEMBL4588477

C[CH]NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
PTGS2 P35354 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
GAA P10253 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
FLT1 P17948 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
SCHEMBL10730953 0.81 HPGD (0.63) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL5060811 0.81 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL28311338 0.80 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL27610435 0.79 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL1344574 0.79 RAB9A (0.50) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL4924405 0.79 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL289886 0.78 NPC1 (0.57) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL79445 0.76 HDAC2 (0.64) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL15047786 0.75 MAPT (0.67) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL7212022 0.75 CYP1A2 (0.56) ALDH1A1MAPTKDM4ELMNAL3MBTL1

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 30 patents — showing the first 20. 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
CN-101090723-A Piperazine urea derivatives for the treatment of endometriosis SCHERING AG (DE) 2007-12-19 CN disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US disclosed
CN-1938029-A Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma UNIV PITTSBURGH (DE) 2007-03-28 CN disclosed
EP-1727526-A2 PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS Schering Aktiengesellschaft (DE) 2006-12-06 EP disclosed
EP-1713483-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA Schering Aktiengesellschaft (DE) 2006-10-25 EP disclosed
CN-1838957-A Chemokine inhibiting piperazine derivatives and their use to treat myocarditis SCHERING AKTIEGESELLSCHAFT (DE) 2006-09-27 CN disclosed
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents BAUMAN JOHN G 2006-06-22 US disclosed
EP-1660089-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MYOCARDITIS SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-31 EP 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
EP-0988292-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-29 EP disclosed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-17 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 (4 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-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES ALDH1A1 465/4885MAPT 3514/4885KDM4E 1780/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 ALDH1A1 1361/4885MAPT 4785/4885KDM4E 2161/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES ALDH1A1 465/4885MAPT 3514/4885KDM4E 1780/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 ALDH1A1 306/4885MAPT 2362/4885KDM4E 1071/4885

“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.