SCHEMBL3752689

SCHEMBL3752689

CCOC(=O)C1CCCN(Cc2c[nH]c3cc(Oc4nc5ccccc5s4)ccc23)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.50
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 4/20 0.49
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.48
BRD4 O60885 1/20 0.47
EPHX2 P34913 1/20 0.47
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KCNH2 Q12809 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL3746623 1.00 LTA4H (0.50) LTA4HALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL743297 0.92 LTA4H (0.58) LTA4HALDH1A1EPHX2MEN1KMT2A
SCHEMBL744389 0.90 LTA4H (0.59) LTA4HALDH1A1MAPK1EPHX2MEN1
SCHEMBL745327 0.89 LTA4H (0.56) LTA4HALDH1A1MAPK1EPHX2MEN1
SCHEMBL15252177 0.89 LTA4H (0.49) LTA4HEPHX2KCNH2
SCHEMBL13051179 0.86 LTA4H (0.54) LTA4HALDH1A1TSHREPHX2KCNH2
SCHEMBL15252279 0.85 LTA4H (0.54) LTA4HEPHX2KCNH2
SCHEMBL15252064 0.85 LTA4H (0.53) LTA4HEPHX2KCNH2
SCHEMBL15252176 0.84 LTA4H (0.50) LTA4HEPHX2KCNH2
SCHEMBL743021 0.84 LTA4H (0.60) LTA4HEPHX2KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399465-B2 Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US claimed
US-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 US claimed

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-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R LTA4H 1/4885ALDH1A1 1950/4885SMN1; SMN2 4691/4885

“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.