SCHEMBL878087

SCHEMBL878087

COC(=O)C(CCn1nnc2ccccc2c1=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL876908 0.92 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1GAAMAPK1
SCHEMBL15735075 0.90 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1GAAMAPK1
SCHEMBL877953 0.88 LMNA (0.48) SMN1; SMN2LMNAALDH1A1GAAMAPK1
SCHEMBL878059 0.82 GPR139 (0.46) SMN1; SMN2LMNAALDH1A1GAAKMT2A
SCHEMBL878420 0.82 KMT2A (0.45) SMN1; SMN2LMNAALDH1A1GAAMAPK1
SCHEMBL15735071 0.80 ALDH1A1 (0.48) SMN1; SMN2LMNAALDH1A1GAAMAPK1
SCHEMBL876948 0.79 MAPK10 (0.43) SMN1; SMN2LMNAALDH1A1GAAMAPK1
SCHEMBL877642 0.75 GPR139 (0.48) SMN1; SMN2LMNAALDH1A1GAAMAPK1
SCHEMBL877413 0.74 MMP2 (0.50) ALDH1A1KMT2AKDM4EMEN1MMP1
SCHEMBL877073 0.74 MMP2 (0.48) SMN1; SMN2LMNAALDH1A1GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 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 (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-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 SMN1; SMN2 3367/4885LMNA 2726/4885ALDH1A1 2281/4885

“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.