SCHEMBL4711052

SCHEMBL4711052

CC(C)(C)OC(=O)NCCCN(Cc1ccc(Oc2nc3ccccc3s2)cc1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 16/20 0.47
KCNH2 Q12809 8/20 0.47
EPHX2 P34913 2/20 0.45
ACKR3 P25106 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 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
SCHEMBL4693581 0.95 LTA4H (0.48) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL4711037 0.87 LTA4H (0.48) LTA4HKCNH2EPHX2ACKR3CYP1A2
SCHEMBL4689321 0.87 LTA4H (0.48) LTA4HKCNH2EPHX2ACKR3CYP1A2
SCHEMBL4689460 0.85 LTA4H (0.47) LTA4HKCNH2EPHX2ACKR3CYP1A2
SCHEMBL4711521 0.85 LTA4H (0.42) LTA4HKCNH2EPHX2ACKR3CYP1A2
SCHEMBL2168481 0.81 LTA4H (0.56) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL4688888 0.81 LTA4H (0.64) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL31687468 0.80 ACKR3 (0.55) KCNH2ACKR3CYP3A4
SCHEMBL4711638 0.80 LTA4H (0.51) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL2169610 0.79 LTA4H (0.50) LTA4HKCNH2EPHX2CYP1A2CYP3A4

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 1/4885KCNH2 3429/4885EPHX2 101/4885

“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.