SCHEMBL3591758

SCHEMBL3591758

ClCCCOc1ccc(-n2nc3ccccc3c2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.58
MPO P05164 4/20 0.39
HRH3 Q9Y5N1 7/20 0.38
KCNH2 Q12809 5/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PSMB5 P28074 1/20 0.36
MAPK1 P28482 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
ADRA1A P35348 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGER4 P35408 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CXCL8 P10145 1/20 0.35
NOD1 Q9Y239 1/20 0.35

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
SCHEMBL3591275 0.94 ESR2 (0.58) ESR2MPOHRH3KCNH2LMNA
SCHEMBL13436369 0.86 ESR2 (0.52) ESR2MPOHRH3SMN1; SMN2PSMB5
Hydrochloric Acid SCHEMBL3580223 0.85 ESR2 (0.51) ESR2MPOHRH3SMN1; SMN2PSMB5
SCHEMBL13436348 0.84 ESR2 (0.53) ESR2MPOHRH3LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3588404 0.83 ESR2 (0.52) ESR2MPOLMNASMN1; SMN2L3MBTL1
SCHEMBL3640202 0.81 ACHE (0.51) ESR2HRH3KCNH2ADRA1ATSHR
SCHEMBL3593552 0.80 ESR2 (0.65) ESR2MPOLMNASMN1; SMN2RAB9A
SCHEMBL3598019 0.78 HRH3 (0.53) ESR2HRH3KCNH2ADRA1A
SCHEMBL9968659 0.78 LTA4H (0.52) ESR2HRH3
SCHEMBL9968720 0.78 LTA4H (0.57) ESR2HRH3

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-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
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 214/4885HRH3 130/4885

“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.