SCHEMBL2168778

SCHEMBL2168778

O=C(O)[C@H]1CCCC[C@H]1NCCc1ccc(Oc2nc3ccccc3s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 19/20 0.55
KCNH2 Q12809 11/20 0.55
EPHX2 P34913 2/20 0.55
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL2181683 1.00 LTA4H (0.55) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2168298 1.00 LTA4H (0.55) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2168304 1.00 LTA4H (0.55) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2168228 0.86 LTA4H (0.58) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2171516 0.86 LTA4H (0.58) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2178625 0.86 LTA4H (0.58) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL5598251 0.86 LTA4H (0.58) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL5598248 0.86 LTA4H (0.58) LTA4HKCNH2EPHX2CYP1A2CYP3A4
Bicarbonate SCHEMBL4693510 0.85 LTA4H (0.58) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL23111535 0.83 LTA4H (0.65) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4726238-B2 2011-07-20 JP claimed
WO-2008100564-A1 LTA4H MODULATORS AND USES THEROF JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO claimed
EP-1660492-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-20 EP claimed
US-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US claimed
WO-2005012297-A9 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-01-04 WO claimed
EP-1660492-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS Janssen Pharmaceutica N.V. (BE) 2006-05-31 EP claimed
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US claimed
WO-2005012297-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO claimed
US-11426399-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase ALKAHEST, INC. (US) 2022-08-30 US disclosed
US-20220226304-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase ALKAHEST, INC. 2022-07-21 US disclosed
US-11344542-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase ALKAHEST, INC. (US) 2022-05-31 US disclosed
US-20200368220-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase ALKAHEST, INC. 2020-11-26 US disclosed
US-20190350917-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase ALKAHEST, INC. 2019-11-21 US disclosed
WO-2008100564-A1 LTA4H MODULATORS AND USES THEROF JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO disclosed
EP-1660492-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-20 EP disclosed
US-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US disclosed
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 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 (7 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-11344542-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885KCNH2 3977/4885EPHX2 84/4885
US-20190350917-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885KCNH2 3977/4885EPHX2 84/4885
US-11426399-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885KCNH2 3977/4885EPHX2 84/4885
US-20220226304-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885KCNH2 3977/4885EPHX2 84/4885
US-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis LTA4H, LTC4S, LTB4R LTA4H 1/4885KCNH2 2161/4885EPHX2 191/4885
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents LTA4H, LTC4S, LTB4R LTA4H 1/4885KCNH2 4064/4885EPHX2 365/4885
US-20200368220-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885KCNH2 3977/4885EPHX2 84/4885

“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.