SCHEMBL3606953

SCHEMBL3606953

COc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 3/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 1/20 0.58
HSP90AA1 P07900 1/20 0.58
PKM P14618 1/20 0.58
KMT2A Q03164 1/20 0.58
PAX8 Q06710 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALOX5 P09917 1/20 0.56
ALDH1A1 P00352 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.55
KCNH2 Q12809 1/20 0.54
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GRIK1 P39086 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL1662861 0.93 NPC1 (0.58) NPC1MAPTMEN1HSP90AA1PKM
SCHEMBL2309322 0.86 KMT2A (0.73) NPC1MAPTMEN1HSP90AA1PKM
SCHEMBL6708262 0.82 POLB (0.58) SMN1; SMN2NPC1MAPTMEN1KMT2A
SCHEMBL3595597 0.82 HTT (0.70) SMN1; SMN2NPC1MAPTMEN1HSP90AA1
SCHEMBL10246421 0.81 MEN1 (0.59) SMN1; SMN2MAPTMEN1HSP90AA1KMT2A
SCHEMBL11120915 0.81 KCNH2 (0.76) NPC1MAPTMEN1KMT2APOLB
SCHEMBL6591899 0.81 LMNA (0.74) SMN1; SMN2NPC1MAPTMEN1PKM
SCHEMBL9423772 0.80 MAPT (0.75) SMN1; SMN2NPC1MAPTMEN1HSP90AA1
SCHEMBL2153018 0.80 MAPT (0.59) SMN1; SMN2NPC1MAPTMEN1HSP90AA1
SCHEMBL1663714 0.80 MEN1 (0.54) SMN1; SMN2NPC1MAPTMEN1HSP90AA1

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
US-7674802-B2 leukotriene A4 hydrolase inhibitors; biaryl nitrogen-attached heterocycles DECODE GENETICS, EHF (IS) 2010-03-09 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 SMN1; SMN2 4852/4885NPC1 611/4885MAPT 4521/4885

“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.