SCHEMBL876908

SCHEMBL876908

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 4/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 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
SCHEMBL15735075 0.93 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAAMAPK1LMNA
SCHEMBL878087 0.92 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2GAAMAPK1LMNA
SCHEMBL15735071 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAMAPK1LMNA
SCHEMBL877953 0.80 LMNA (0.48) ALDH1A1SMN1; SMN2GAAMAPK1LMNA
SCHEMBL12472725 0.77 KMT2A (0.53) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL877073 0.75 MMP2 (0.48) ALDH1A1SMN1; SMN2GAAMAPK1LMNA
SCHEMBL878059 0.75 GPR139 (0.46) ALDH1A1SMN1; SMN2GAALMNAKMT2A
SCHEMBL878420 0.74 KMT2A (0.45) ALDH1A1SMN1; SMN2GAAMAPK1LMNA
SCHEMBL877413 0.73 MMP2 (0.50) ALDH1A1KMT2AMEN1KDM4E
SCHEMBL874823 0.73 MMP2 (0.61) ALDH1A1KMT2AMEN1KDM4E

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 ALDH1A1 2281/4885SMN1; SMN2 3367/4885GAA 385/4885

“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.