SCHEMBL14768660

SCHEMBL14768660

O=[N+]([O-])c1ccc(Cl)c(CN2CCSCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
ALDH1A1 P00352 5/20 0.68
KDM4E B2RXH2 2/20 0.68
CYP2A13 Q16696 1/20 0.54
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
CTSB P07858 1/20 0.50
MAPT P10636 3/20 0.47
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 3/20 0.46

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
SCHEMBL13861957 0.87 LMNA (0.77) LMNASMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL4362133 0.83 LMNA (0.71) LMNASMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL15688075 0.83 LMNA (0.71) LMNASMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL521635 0.83 LMNA (0.71) LMNASMN1; SMN2ALDH1A1KDM4ECYP2A13
SCHEMBL13861955 0.80 LMNA (0.67) LMNASMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL13861956 0.80 LMNA (0.67) LMNASMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL3156625 0.79 KDM4E (1.00) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL4369274 0.76 ALDH1A1 (0.65) LMNASMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL2209503 0.75 LMNA (0.60) LMNASMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL14768636 0.75 LMNA (0.59) LMNASMN1; SMN2ALDH1A1KDM4ECTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031841-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9187425-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2015-11-17 US disclosed
US-20140066446-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-8563544-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2013-10-22 US disclosed
US-20130065889-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2013-03-14 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 (3 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-20160031841-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 LMNA 4120/4885SMN1; SMN2 603/4885ALDH1A1 1349/4885
US-20140066446-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 LMNA 4120/4885SMN1; SMN2 603/4885ALDH1A1 1349/4885
US-20130065889-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 LMNA 4120/4885SMN1; SMN2 603/4885ALDH1A1 1349/4885

“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.