SCHEMBL85229

SCHEMBL85229

O=C1COCCCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
BLM P54132 1/20 0.49
AKR1C3 P42330 1/20 0.45
SIRT6 Q8N6T7 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
ADRB1 P08588 1/20 0.42
LMNA P02545 3/20 0.41
KCNJ1 P48048 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F10 P00742 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CYP1B1 Q16678 1/20 0.40
PTGS2 P35354 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL78624 0.91 MAPT (0.51) MAPTGAAKDM4EBLMAKR1C3
Hydrochloric Acid SCHEMBL27883894 0.90 MAPT (0.50) MAPTGAAKDM4EBLMAKR1C3
SCHEMBL11934575 0.82 MAPT (0.44) MAPTGAAKDM4EBLMAKR1C3
SCHEMBL11934590 0.82 MAPT (0.43) MAPTGAAKDM4EBLMAKR1C3
SCHEMBL75939 0.80 F10 (0.49) MAPTGAAKDM4EALDH1A1POLB
SCHEMBL77999 0.80 MEN1 (0.56) MAPTAKR1C3SIRT6ALDH1A1POLB
SCHEMBL29929946 0.80 MEN1 (0.56) MAPTAKR1C3SIRT6ALDH1A1POLB
SCHEMBL4410240 0.79 MAPT (0.50) MAPTGAAKDM4EBLMAKR1C3
SCHEMBL5166507 0.78 MAPT (0.57) MAPTAKR1C3SIRT6ALDH1A1POLB
SCHEMBL85664 0.77 MAPT (0.60) MAPTAKR1C3SIRT6ALDH1A1POLB

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-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
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-2006034769-A1 CARBONYL COMPOUNDS USABLE AS COAGULATION FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2006-04-06 WO disclosed
WO-2006032342-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF MERCK PATENT GMBH (DE) 2006-03-30 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 4809/4885GAA 2000/4885KDM4E 2146/4885
US-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX MAPT 3896/4885GAA 1047/4885KDM4E 1013/4885
US-20080081814-A1 Carbonyl Compounds Which Can be Used as Inhibitors of Coagulation Factor Xa F2, F11, F12 MAPT 4368/4885GAA 1110/4885KDM4E 977/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB MAPT 2660/4885GAA 660/4885KDM4E 1954/4885

“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.