SCHEMBL85567

SCHEMBL85567

O=C1C2CCC(CC2)N1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 6/20 0.44
ALDH1A1 P00352 4/20 0.41
SIRT6 Q8N6T7 2/20 0.41
SCN2A Q99250 1/20 0.41
POLB P06746 1/20 0.41
ADRB1 P08588 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
TRPV6 Q9H1D0 1/20 0.40
CRHBP P24387 1/20 0.40
GFER P55789 1/20 0.40
CRHR2 Q13324 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
SCHEMBL5371284 0.77 ALDH1A1 (0.45) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL76493 0.76 CYP19A1 (0.47) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL2370523 0.75 MEN1 (0.44) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL22466023 0.75 MEN1 (0.54) KMT2AMEN1MAPTALDH1A1SIRT6
SCHEMBL22466020 0.75 MEN1 (0.54) KMT2AMEN1MAPTALDH1A1SIRT6
Hydrochloric Acid SCHEMBL29378443 0.74 MEN1 (0.53) KMT2AMEN1MAPTALDH1A1SIRT6
SCHEMBL5367360 0.74 HTT (0.47) KMT2AMAPTALDH1A1LMNAMAPK1
SCHEMBL85569 0.74 AR (0.40) KMT2AALDH1A1POLBMAPK1
SCHEMBL2717566 0.72 MEN1 (0.48) KMT2AMEN1MAPTALDH1A1SIRT6
SCHEMBL22466161 0.71 MAPT (0.51) KMT2AMEN1MAPTALDH1A1SIRT6

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
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-7579346-B2 (R)-2-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]4-methylvaleramide, for example; inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumors MERCK PATENT GMBH (DE) 2009-08-25 US disclosed
US-7579346-B2 (R)-2-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]4-methylvaleramide, for example; inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumors MERCK PATENT GMBH (DE) 2009-08-25 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
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 KMT2A 3173/4885MEN1 867/4885MAPT 4809/4885
US-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX KMT2A 1530/4885MEN1 684/4885MAPT 3896/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB KMT2A 3212/4885MEN1 1153/4885MAPT 2660/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 KMT2A 2252/4885MEN1 2997/4885MAPT 4360/4885

“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.