SCHEMBL694127

SCHEMBL694127

N#Cc1ccc(Oc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.62
MERTK Q12866 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PDE7A Q13946 1/20 0.48
LMNA P02545 2/20 0.44
ESRRA P11474 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
LRRK2 Q5S007 1/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
HSP90AA1 P07900 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
S1PR4 O95977 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL9658662 0.82 VCAM1 (0.55) VCAM1MERTKMEN1KMT2APDE7A
SCHEMBL2969404 0.81 MERTK (0.71) VCAM1MERTKMEN1KMT2APDE7A
SCHEMBL2826350 0.81 MERTK (0.60) VCAM1MERTKMEN1KMT2APDE7A
SCHEMBL17396512 0.78 TSHR (0.59) VCAM1MERTKPDE7ALMNAPOLB
SCHEMBL6463 0.78 VCAM1 (1.00) VCAM1MERTKMAPK1MAPT
SCHEMBL12253372 0.78 VCAM1 (1.00) VCAM1MERTKMAPK1MAPT
SCHEMBL10387432 0.78 PDE7A (0.71) VCAM1MEN1KMT2APDE7ALMNA
SCHEMBL16296010 0.77 HPGD (0.73) MEN1KMT2APDE7ALMNAPOLB
SCHEMBL4175949 0.77 HPGD (0.64) VCAM1MERTKMEN1KMT2ALMNA
SCHEMBL14570718 0.77 VCAM1 (0.56) VCAM1MERTKMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421829-B1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS INC (US) 2015-09-30 EP disclosed
EP-2727908-A2 2,5-disubstituted arylsulfonamide CCR3 antagonists Axikin Pharmaceuticals, Inc. (US) 2014-05-07 EP disclosed
US-8669247-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-8669247-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-8669247-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-20130225565-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225565-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225565-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8399456-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-8399456-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-8399456-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
EP-2421829-A2 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS Axikin Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
US-20100273782-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
US-20100273782-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
US-20100273782-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
WO-2010123956-A2 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2010-10-28 WO 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 (2 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-20130225565-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 VCAM1 1591/4885MERTK 3401/4885MEN1 4397/4885
US-20100273782-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 VCAM1 1591/4885MERTK 3401/4885MEN1 4397/4885

“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.