SCHEMBL742927

SCHEMBL742927

OCc1coc2cc(O)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.55
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
HSD17B10 Q99714 5/20 0.51
MAPT P10636 4/20 0.51
HPGD P15428 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAOB P27338 3/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
MAOA P21397 2/20 0.51
CYP2C19 P33261 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
CYP19A1 P11511 2/20 0.51
CA12 O43570 1/20 0.51

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
SCHEMBL21591575 0.86 MAOB (0.65) PIM1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL743339 0.85 PIM1 (0.52) PIM1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL28818101 0.83 PIM1 (0.54) PIM1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL16448790 0.83 HSD17B3 (0.60) PIM1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4945911 0.80 PIM1 (0.51) PIM1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2267628 0.80 HSD17B3 (0.60) PIM1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL914068 0.79 CYP11B1 (0.49) PIM1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL205825 0.79 ALOX15 (0.69) PIM1SMN1; SMN2MAPTKMT2APOLB
SCHEMBL13524013 0.79 PIM1 (0.54) PIM1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL5208710 0.79 PIM1 (0.50) PIM1KDM4EALDH1A1SMN1; SMN2HSD17B10

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 11 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
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
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
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
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
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
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 PIM1 4844/4885KDM4E 2435/4885ALDH1A1 1950/4885

“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.