SCHEMBL744732

SCHEMBL744732

COC(=O)c1coc2cc(Oc3nc4ccccc4s3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 14/20 0.56
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
EPHX2 P34913 4/20 0.48
ALDH1A1 P00352 1/20 0.45
CTSD P07339 1/20 0.44

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
SCHEMBL3741177 0.85 LTA4H (0.58) LTA4H
SCHEMBL743986 0.78 LTA4H (0.70) LTA4HSMN1; SMN2NPC1POLBMAPT
SCHEMBL742152 0.77 LTA4H (0.53) LTA4HSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL742930 0.77 LTA4H (0.67) LTA4HSMN1; SMN2NPC1POLBMAPT
SCHEMBL743572 0.76 LTA4H (0.70) LTA4HSMN1; SMN2NPC1POLBMAPT
SCHEMBL28623538 0.76 CYP1A2 (0.73) LTA4HSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL3748560 0.75 CYP1A2 (0.54) LTA4HSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL743827 0.75 LTA4H (0.57) LTA4H
SCHEMBL3744671 0.74 LTA4H (0.57) LTA4H
SCHEMBL4367744 0.74 ALDH1A1 (0.57) SMN1; SMN2NPC1MAPTRAB9ACYP3A4

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-2430019-B1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-09-18 EP disclosed
US-8399465-B2 Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
EP-2430019-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2012-03-21 EP disclosed
WO-2010132599-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO disclosed
US-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 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 (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 1/4885SMN1; SMN2 4691/4885NPC1 435/4885

“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.