SCHEMBL85930

SCHEMBL85930

O=C(COCCCl)Nc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 5/20 0.45
RECQL P46063 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.41
MAPK1 P28482 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
SCHEMBL2681754 0.85 KMT2A (0.44) MAPTKDM4EHPGDTSHRALDH1A1
SCHEMBL13216539 0.85 ALDH1A1 (0.53) MAPTHPGDALDH1A1KMT2AMEN1
SCHEMBL29263262 0.83 ALDH1A1 (0.51) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL18134021 0.82 ALDH1A1 (0.48) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL7650201 0.81 ALDH1A1 (0.57) MAPTKDM4EHPGDTSHRALDH1A1
SCHEMBL8270302 0.80 SMN1; SMN2 (0.57) MAPTHPGDTSHRALDH1A1KMT2A
SCHEMBL13216554 0.80 MAPT (0.47) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL2941803 0.79 MAPT (0.56) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL9666829 0.79 ALDH1A1 (0.52) MAPTKDM4EHPGDTSHRALDH1A1
SCHEMBL18630623 0.79 SMN1; SMN2 (0.40) MAPTKDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
EP-1720844-B1 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2009-04-29 EP disclosed
US-20080081814-A1 Carbonyl Compounds Which Can be Used as Inhibitors of Coagulation Factor Xa CEZANNE BERTRAM 2008-04-03 US disclosed
US-20080081814-A1 Carbonyl Compounds Which Can be Used as Inhibitors of Coagulation Factor Xa CEZANNE BERTRAM 2008-04-03 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20070265259-A1 Proline Derivatives MERCK PATENT GMBH (DE) 2007-11-15 US disclosed
US-20070265259-A1 Proline Derivatives MERCK PATENT GMBH (DE) 2007-11-15 US disclosed
WO-2006034789-A1 PROLINE DERIVATIVES MERCK PATENT GMBH (DE) 2006-04-06 WO disclosed
WO-2006034769-A1 CARBONYL COMPOUNDS USABLE AS COAGULATION FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2006-04-06 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 (4 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-20070265259-A1 Proline Derivatives F2, XPNPEP1, PRAP1 MAPT 4809/4885KDM4E 2146/4885HPGD 267/4885
US-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX MAPT 3896/4885KDM4E 1013/4885HPGD 84/4885
US-20080081814-A1 Carbonyl Compounds Which Can be Used as Inhibitors of Coagulation Factor Xa F2, F11, F12 MAPT 4368/4885KDM4E 977/4885HPGD 74/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB MAPT 2660/4885KDM4E 1954/4885HPGD 25/4885

“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.