SCHEMBL4707674

SCHEMBL4707674

O=C(CN1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1)N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 17/20 0.63
KCNH2 Q12809 9/20 0.62
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL4709450 0.91 LTA4H (0.73) LTA4HKCNH2ALDH1A1SMN1; SMN2
SCHEMBL2168508 0.91 LTA4H (0.64) LTA4HKCNH2
SCHEMBL2169642 0.87 LTA4H (0.77) LTA4HKCNH2
SCHEMBL4692486 0.87 LTA4H (0.78) LTA4HKCNH2
SCHEMBL4688968 0.85 LTA4H (0.69) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL4693430 0.85 LTA4H (0.74) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL14100351 0.84 LTA4H (0.68) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL6362980 0.83 LTA4H (0.74) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL1903766 0.83 LTA4H (0.60) LTA4HKCNH2
SCHEMBL4709093 0.82 LTA4H (0.74) LTA4HKCNH2CYP1A2CYP3A4CYP2D6

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-1660491-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP claimed
US-20050043379-A1 LTA4H Modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US 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
US-20050043379-A1 LTA4H Modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US 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 3429/4885ALDH1A1 1306/4885

“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.