SCHEMBL2390989

SCHEMBL2390989

CC(NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
GAA P10253 5/20 0.55
KDM4E B2RXH2 1/20 0.55
GLA P06280 1/20 0.55
HPGD P15428 1/20 0.55
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MGLL Q99685 2/20 0.49
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
HTR2A P28223 1/20 0.45
EPHX2 P34913 1/20 0.45
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL29401387 1.00 MAPT (0.55) MAPTGAAKDM4EGLAHPGD
SCHEMBL2390983 1.00 MAPT (0.55) MAPTGAAKDM4EGLAHPGD
SCHEMBL24058871 0.90 MGLL (0.52) MAPTGAAKDM4EGLAHPGD
SCHEMBL19871006 0.90 MGLL (0.52) MAPTGAAKDM4EGLAHPGD
SCHEMBL30184764 0.89 KDM4E (0.64) MAPTGAAKDM4EGLAHPGD
SCHEMBL23493265 0.89 KDM4E (0.64) MAPTGAAKDM4EGLAHPGD
SCHEMBL23493263 0.89 KDM4E (0.64) MAPTGAAKDM4EGLAHPGD
SCHEMBL19668455 0.89 MAPT (0.64) MAPTGAAKDM4EGLAHPGD
SCHEMBL7341887 0.89 MAPT (0.64) MAPTGAAKDM4EGLAHPGD
SCHEMBL2032096 0.87 HTR2A (0.50) MAPTGAAKDM4EGLAHPGD

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-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
EP-2225238-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed
US-6579696-B1 Comprising diaminobutyric acid having a gamma amino group and amino acid selected from cysteine, alanine and lysine; use in prevention and treatment of sepsis PROMEGA CORPORATION 2003-06-17 US disclosed
EP-0840619-A1 PREVENTION AND TREATMENT OF SEPSIS OPHIDIAN PHARMACEUTICALS, INC. (US) 1998-05-13 EP disclosed
WO-1996040251-A1 PREVENTION AND TREATMENT OF SEPSIS OPHIDIAN PHARMACEUTICALS, INC. (US) 1996-12-19 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 (1 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 MAPT 2621/4885GAA 2048/4885KDM4E 1701/4885

“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.