SCHEMBL1356979

SCHEMBL1356979

CN(Cc1ccccc1)C(OC(=O)C(=O)OC(C(=O)Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1)N(C)Cc1ccccc1)C(=O)Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.48
SIGMAR1 Q99720 5/20 0.47
ELOVL1 Q9BW60 5/20 0.45
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.38
EP300 Q09472 1/20 0.37
KCNH2 Q12809 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL1357515 0.79 ABL1 (0.58) ABL1SIGMAR1ELOVL1UBE2MDCUN1D1
Oxalic Acid SCHEMBL1356980 0.77 ABL1 (0.56) ABL1SIGMAR1ELOVL1UBE2MDCUN1D1
SCHEMBL1899226 0.76 SIGMAR1 (0.65) SIGMAR1ATMKCNH2
SCHEMBL17965439 0.71 ABL1 (0.60) ABL1SIGMAR1ELOVL1CACNA1GCACNA1H
Oxalic Acid SCHEMBL1356977 0.69 ABL1 (0.58) ABL1SIGMAR1ELOVL1CACNA1GCACNA1H
SCHEMBL1357656 0.69 ABL1 (0.73) ABL1SIGMAR1ELOVL1MAPTTSHR
SCHEMBL20608293 0.68 SIGMAR1 (0.71) SIGMAR1KCNH2
SCHEMBL1356743 0.68 ABL1 (0.65) ABL1SIGMAR1ELOVL1CACNA1GCACNA1H
Oxalic Acid SCHEMBL1899223 0.67 SIGMAR1 (0.91) SIGMAR1MAPTATMKCNH2
SCHEMBL24685633 0.67 ABL1 (0.66) ABL1SIGMAR1ELOVL1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994008-B1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR ESTEVE LABOR DR (ES) 2016-08-10 EP disclosed
US-8410159-B2 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2013-04-02 US disclosed
US-20110281848-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-11-17 US disclosed
US-7989485-B2 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-08-02 US disclosed
US-20090137560-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-05-28 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 (2 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-20090137560-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR SIGMAR1, TMEM97, OPRK1 ABL1 452/4885SIGMAR1 1/4885ELOVL1 3352/4885
US-20110281848-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR SIGMAR1, TMEM97, OPRK1 ABL1 452/4885SIGMAR1 1/4885ELOVL1 3352/4885

“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.