SCHEMBL4711037

SCHEMBL4711037

CN(CCCNC(=O)OC(C)(C)C)Cc1ccc(Oc2nc3ccccc3s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.48
EPHX2 P34913 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ACKR3 P25106 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
OPRM1 P35372 2/20 0.45
TMEM97 Q5BJF2 2/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 4/20 0.44
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4711052 0.87 LTA4H (0.47) LTA4HEPHX2SMN1; SMN2CYP1A2CYP3A4
SCHEMBL4708273 0.86 LTA4H (0.55) LTA4HEPHX2SMN1; SMN2CYP1A2CYP3A4
SCHEMBL4688888 0.85 LTA4H (0.64) LTA4HEPHX2SMN1; SMN2CYP1A2CYP3A4
SCHEMBL4693581 0.83 LTA4H (0.48) LTA4HEPHX2SMN1; SMN2CYP1A2CYP3A4
SCHEMBL4709249 0.81 LTA4H (0.45) LTA4HEPHX2SMN1; SMN2CYP1A2CYP3A4
SCHEMBL4689574 0.80 LTA4H (0.51) LTA4HEPHX2SMN1; SMN2CYP1A2CYP3A4
SCHEMBL4707568 0.79 LTA4H (0.50) LTA4HEPHX2SMN1; SMN2CYP1A2CYP3A4
SCHEMBL4600182 0.78 SIGMAR1 (0.62) ACKR3SIGMAR1OPRM1TMEM97OPRK1
SCHEMBL14100410 0.77 LTA4H (0.53) LTA4HEPHX2SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31687472 0.77 SIGMAR1 (0.61) SMN1; SMN2ACKR3SIGMAR1OPRM1TMEM97

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
EP-1660491-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP claimed
EP-1660491-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP claimed
US-20050043379-A1 LTA4H Modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US claimed
WO-2005012296-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO claimed
EP-1660491-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
WO-2005012296-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 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-20050043379-A1 LTA4H Modulators LTA4H, LTB4R, LTB4R2 LTA4H 1/4885EPHX2 101/4885SMN1; SMN2 4666/4885

“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.