SCHEMBL1407976

SCHEMBL1407976

CCOC(=O)C(=O)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.80
RAB9A P51151 5/20 0.80
NPC1 O15118 5/20 0.80
MAPK1 P28482 3/20 0.80
NFKB1 P19838 1/20 0.80
NFKB2 Q00653 1/20 0.80
RELA Q04206 1/20 0.80
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 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
SCHEMBL527627 0.89 RAB9A (1.00) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL1408357 0.81 MAPT (0.53) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL6797863 0.81 MAPT (0.78) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL6805283 0.81 MAPT (0.70) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL1414434 0.81 MAPT (0.70) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL16176974 0.79 MAPT (0.74) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL6797565 0.79 MAPT (0.78) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL4730913 0.79 MAPT (0.67) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL17815792 0.78 MAPT (0.67) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL2177712 0.78 MAPT (0.68) MAPTRAB9ANPC1MAPK1NFKB1

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
US-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-07-19 US disclosed
US-8030311-B2 Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2011-10-04 US disclosed
EP-1874770-B1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-09 EP disclosed
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors NOVARTIS AG (CH) 2008-12-25 US disclosed
EP-1874770-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS Novartis Pharma AG (CH) 2008-01-09 EP disclosed
WO-2006108640-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2006-10-19 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-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS MAP3K10, MAP3K20, MAP3K9 MAPT 2709/4885RAB9A 613/4885NPC1 4106/4885
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors MAP3K20, MAP3K10, MAP3K9 MAPT 2459/4885RAB9A 518/4885NPC1 3912/4885

“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.