SCHEMBL3603218

SCHEMBL3603218

Oc1ccc(-n2nc3ccccc3c2Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 1.00
MPO P05164 4/20 0.42
FGFR1 P11362 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ESR1 P03372 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
HIF1A Q16665 1/20 0.39
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KLK7 P49862 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1094058 0.86 ESR2 (0.75) ESR2MPOLMNAMAPTADORA3
SCHEMBL28792817 0.85 ESR2 (0.74) ESR2MPOALDH1A1LMNAMAPK1
SCHEMBL5312199 0.83 ESR2 (0.71) ESR2MPOALDH1A1LMNAMAPT
SCHEMBL21423384 0.83 ESR2 (0.71) ESR2ALDH1A1LMNAMAPK1TP53
SCHEMBL9968279 0.82 ESR2 (0.70) ESR2MPOFGFR1ALDH1A1LMNA
SCHEMBL31670573 0.80 ESR2 (0.67) ESR2MPOFGFR1ALDH1A1LMNA
SCHEMBL13436362 0.80 ESR2 (0.67) ESR2ALDH1A1MAPTESR1MEN1
SCHEMBL11696043 0.79 ESR2 (0.66) ESR2MPOFGFR1ALDH1A1LMNA
SCHEMBL3593552 0.79 ESR2 (0.65) ESR2MPOALDH1A1LMNAMAPT
SCHEMBL3591758 0.74 ESR2 (0.58) ESR2MPOLMNAMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963276-B9 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2012-09-26 EP disclosed
EP-1963276-B9 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2012-09-26 EP disclosed
EP-1963276-B1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2012-06-20 EP disclosed
EP-1963276-B1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2012-06-20 EP disclosed
US-7674802-B2 leukotriene A4 hydrolase inhibitors; biaryl nitrogen-attached heterocycles DECODE GENETICS, EHF (IS) 2010-03-09 US disclosed
US-7674802-B2 leukotriene A4 hydrolase inhibitors; biaryl nitrogen-attached heterocycles DECODE GENETICS, EHF (IS) 2010-03-09 US disclosed
US-7674802-B2 leukotriene A4 hydrolase inhibitors; biaryl nitrogen-attached heterocycles DECODE GENETICS, EHF (IS) 2010-03-09 US disclosed
EP-1963276-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2008-09-03 EP disclosed
WO-2007073405-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-06-28 WO disclosed
WO-2007073405-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-06-28 WO disclosed
US-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-21 US disclosed
US-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-21 US disclosed
US-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-21 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-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S ESR2 1449/4885MPO 214/4885FGFR1 1941/4885

“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.