SCHEMBL3593032

SCHEMBL3593032

Clc1ccc2c(Cl)n[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.50
TRPA1 O75762 2/20 0.49
GSK3B P49841 2/20 0.46
NOS1 P29475 2/20 0.44
DYRK1A Q13627 2/20 0.44
DAO P14920 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CHEK1 O14757 1/20 0.41
PARP1 P09874 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FADS1 O60427 1/20 0.40
LMNA P02545 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL14738828 0.83 MAP2K4 (0.63) MAP2K4TRPA1GSK3BNOS1DYRK1A
SCHEMBL4502873 0.81 PDPK1 (0.60) MAP2K4TRPA1GSK3BCHEK1JAK2
SCHEMBL3395282 0.79 MAP2K4 (0.49) MAP2K4TRPA1GSK3BNOS1DYRK1A
SCHEMBL31735799 0.79 MAP2K4 (0.47) MAP2K4TRPA1GSK3BNOS1DYRK1A
SCHEMBL2955244 0.79 MAP2K4 (0.55) MAP2K4TRPA1GSK3BNOS1DYRK1A
SCHEMBL3155790 0.79 CHEK1 (0.50) MAP2K4TRPA1GSK3BNOS1DYRK1A
SCHEMBL15529807 0.79 GSK3B (0.48) MAP2K4TRPA1GSK3BNOS1DYRK1A
SCHEMBL1553907 0.79 MAP2K4 (0.47) MAP2K4TRPA1GSK3BNOS1DYRK1A
SCHEMBL30548014 0.79 GSK3B (0.48) MAP2K4TRPA1GSK3BNOS1DYRK1A
SCHEMBL23478671 0.79 PDPK1 (0.36) MAP2K4TRPA1GSK3BJAK2

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 6 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-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
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
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 MAP2K4 2446/4885TRPA1 796/4885GSK3B 3668/4885

“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.