SCHEMBL1947561

SCHEMBL1947561

CC(C)(C)OC(=O)N(Cc1cc([N+](=O)[O-])ccc1C#N)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
RECQL P46063 1/20 0.41
VCAM1 P19320 1/20 0.41
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
ALDH1A1 P00352 6/20 0.40
GAA P10253 2/20 0.39
ALOX5 P09917 1/20 0.38
MAPT P10636 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NR1D1 P20393 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AR P10275 2/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36

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
SCHEMBL8168728 0.89 LMNA (0.41) LMNARECQLVCAM1ITGA4ITGB7
SCHEMBL6677398 0.85 ITGA4 (0.43) LMNAITGA4ITGB7ALDH1A1GAA
SCHEMBL6681036 0.85 ALDH1A1 (0.45) LMNAITGA4ITGB7ALDH1A1ALOX5
SCHEMBL6674892 0.84 MEN1 (0.44) LMNAITGA4ITGB7ALDH1A1ALOX5
SCHEMBL6676629 0.84 ALDH1A1 (0.45) LMNAITGA4ITGB7ALDH1A1GAA
SCHEMBL6681796 0.83 ALDH1A1 (0.49) LMNAITGA4ITGB7ALDH1A1GAA
SCHEMBL6676222 0.82 MAPT (0.48) LMNAITGA4ITGB7ALDH1A1GAA
SCHEMBL30182750 0.81 ALDH1A1 (0.42) LMNAITGA4ITGB7ALDH1A1GAA
SCHEMBL1947187 0.80 KDM4E (0.40) ALDH1A1GAAMAPT
SCHEMBL26144451 0.80 NOS2 (0.43) LMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
EP-2462123-B1 4,5,6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2013-10-02 EP disclosed
US-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
WO-2011017296-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2011-02-10 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 (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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 LMNA 95/4885RECQL 2309/4885VCAM1 975/4885
US-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS F9, F8, F12 LMNA 1461/4885RECQL 1065/4885VCAM1 2013/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 LMNA 95/4885RECQL 2309/4885VCAM1 975/4885

“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.