SCHEMBL2216732

SCHEMBL2216732

O=C1NC2=C(C(=NO)CC=C2)C1=NO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR2 Q92731 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL17004509 0.61
SCHEMBL10589226 0.61
Ammonia Solution, Strong SCHEMBL28387374 0.60 KDM4E (0.43) KDM4E
SCHEMBL3662152 0.60
SCHEMBL3662158 0.60
SCHEMBL89290 0.58 KDM4E (0.45) KDM4ELMNATP53POLBHTT
Water SCHEMBL864068 0.56 KDM4E (0.43) KDM4E
SCHEMBL17146127 0.56
SCHEMBL6026810 0.55 POLB (0.35) POLB
SCHEMBL11387832 0.52

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-1345908-B1 PROCESS FOR THE PREPARATION OF ALPHA-AMINOSUBSTITUTED CARBOXYLIC ACID AMIDES MERCK PATENT GMBH (DE) 2011-07-27 EP disclosed
EP-2256104-A1 Process for the preparation of alpha-aminosubstituted carboxylic acid amides Merck Patent GmbH (DE) 2010-12-01 EP disclosed
US-7166720-B2 Process for the preparation of α-aminosubstituted carboxylic acid amides MERCK PATENT GESELLSCHAFT (DE) 2007-01-23 US disclosed
US-7053211-B2 Process for the preparation of α-aminosubstituted carboxylic acid amides MERCK PATENT GMBH (DE) 2006-05-30 US disclosed
US-20060025587-A1 Process for the preparation of alpha-aminosubstituted carboxylic acid amides HARTIG THORSTEN 2006-02-02 US disclosed
US-20040034250-A1 Process for the preparation of alpha-aminosubstituted carboxylic acid amides MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2004-02-19 US disclosed
EP-1345908-A2 PROCESS FOR THE PREPARATION OF ALPHA-AMINOSUBSTITUTED CARBOXYLIC ACID AMIDES MERCK PATENT GmbH (DE) 2003-09-24 EP disclosed
WO-2002051813-A2 PROCESS FOR THE PREPARATION OF α-AMINOSUBSTITUTED CARBOXYLIC ACID AMIDES MERCK PATENT GMBH (DE) 2002-07-04 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-20040034250-A1 Process for the preparation of alpha-aminosubstituted carboxylic acid amides ASNS, HNMT, NAAA KDM4E 2716/4885LMNA 2285/4885TP53 1439/4885
US-20060025587-A1 Process for the preparation of alpha-aminosubstituted carboxylic acid amides ASNS, HNMT, AASDHPPT KDM4E 2413/4885LMNA 1918/4885TP53 1452/4885

“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.