SCHEMBL2168570

SCHEMBL2168570

O=C(NCCCN(CCc1ccc(Oc2nc3ccccc3s2)cc1)C1CC1)C1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LTA4H P09960 16/20 0.47
EPHX2 P34913 2/20 0.47
KCNH2 Q12809 10/20 0.46
POLB P06746 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
SCHEMBL29674567 1.00 NPC1 (0.47) NPC1TP53MAPK1RAB9ASMN1; SMN2
SCHEMBL4693033 0.89 LTA4H (0.45) SMN1; SMN2LTA4HEPHX2KCNH2
SCHEMBL2168481 0.86 LTA4H (0.56) SMN1; SMN2LTA4HEPHX2KCNH2
SCHEMBL2168019 0.85 LTA4H (0.55) SMN1; SMN2LTA4HEPHX2KCNH2
SCHEMBL2169664 0.85 LTA4H (0.50) SMN1; SMN2LTA4HEPHX2KCNH2
SCHEMBL2169610 0.84 LTA4H (0.50) SMN1; SMN2LTA4HEPHX2KCNH2
SCHEMBL2167860 0.83 LTA4H (0.49) SMN1; SMN2LTA4HEPHX2KCNH2
SCHEMBL2171303 0.82 LTA4H (0.56) SMN1; SMN2LTA4HEPHX2KCNH2
SCHEMBL2169147 0.82 LTA4H (0.47) SMN1; SMN2LTA4HEPHX2KCNH2
SCHEMBL4711521 0.81 LTA4H (0.42) SMN1; SMN2LTA4HEPHX2KCNH2

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
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 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-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
WO-2005012297-A9 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-01-04 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-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis LTA4H, LTC4S, LTB4R NPC1 672/4885TP53 1456/4885MAPK1 4192/4885

“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.