SCHEMBL2883585

SCHEMBL2883585

Ic1ccc(Oc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.67
AKR1C3 P42330 2/20 0.54
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL1432961 0.88 AKR1C3 (0.65) LTA4HAKR1C3MEN1KMT2AALDH1A1
SCHEMBL30440657 0.83 LTA4H (0.66) LTA4HMEN1KMT2AALDH1A1MAPT
SCHEMBL18415522 0.81 AKR1C3 (0.62) AKR1C3MEN1KMT2AALDH1A1MAPT
SCHEMBL15867084 0.81 MAPK1 (0.57) AKR1C3MEN1KMT2AALDH1A1MAPT
SCHEMBL17642581 0.81 AKR1C3 (0.57) LTA4HAKR1C3MEN1KMT2AALDH1A1
SCHEMBL13234979 0.80 LTA4H (1.00) LTA4HALDH1A1LMNAKDM4EMMP2
Hydrochloric Acid SCHEMBL2881375 0.79 LTA4H (0.97) LTA4HALDH1A1LMNAKDM4EMMP2
SCHEMBL12635871 0.77 ST14 (0.52) LTA4HMEN1KMT2AALDH1A1MAPT
SCHEMBL22904717 0.77 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL12635872 0.77 ALDH1A1 (0.65) LTA4HMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750012-B2 Biaryl nitrogen-heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-07-06 US disclosed
US-7750012-B2 Biaryl nitrogen-heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-07-06 US disclosed
US-7750012-B2 Biaryl nitrogen-heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-07-06 US disclosed
EP-1968961-A2 BIARYL NITROGEN HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2008-09-17 EP disclosed
WO-2007078335-A2 BIARYL NITROGEN HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF. (IS) 2007-07-12 WO disclosed
US-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-28 US disclosed
US-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-28 US disclosed
US-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-28 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-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTC4S, LTB4R LTA4H 1/4885AKR1C3 305/4885MEN1 4313/4885

“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.