SCHEMBL667434

SCHEMBL667434

COC(=O)CCC(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX5 P09917 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 3/20 0.44
CYP26A1 O43174 1/20 0.44
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
ALDH1A1 P00352 4/20 0.42
NR3C2 P08235 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL665809 0.90 CYP26A1 (0.49) MEN1KMT2AMAPTSMN1; SMN2ALOX5
SCHEMBL10256379 0.90 CYP26A1 (0.49) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL10290255 0.89 MAPT (0.47) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL666435 0.89 MAPT (0.49) MEN1KMT2AMAPTSMN1; SMN2ALOX5
SCHEMBL665500 0.87 MAPT (0.47) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL6676599 0.86 MAPT (0.51) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL9848805 0.86 MAPT (0.54) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL9848797 0.86 MAPT (0.54) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL9848801 0.86 MAPT (0.54) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL31226878 0.86 MAPT (0.54) MAPTSMN1; SMN2ALOX5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102317269-B Novel amino aza heterocyclic carboxamides MERCK PATENT GMBH 2015-06-17 CN disclosed
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
EP-2396307-B1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2014-10-15 EP disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-8637532-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-01-28 US disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 US disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 US disclosed
EP-2396307-A1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES Merck Patent GmbH (DE) 2011-12-21 EP disclosed
WO-2010093419-A1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2010-08-19 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-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC MEN1 1111/4885KMT2A 99/4885MAPT 4799/4885
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC MEN1 1111/4885KMT2A 99/4885MAPT 4799/4885

“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.