SCHEMBL2391133

SCHEMBL2391133

C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(CO)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
CTSS P25774 3/20 0.40
CTSK P43235 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
REN P00797 1/20 0.39
ATM Q13315 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
GLS O94925 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
RCE1 Q9Y256 1/20 0.38

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
SCHEMBL2391135 1.00 KDM4E (0.44) KDM4ECTSSCTSKKMT2AMEN1
SCHEMBL12310234 1.00 KDM4E (0.44) KDM4ECTSSCTSKKMT2AMEN1
SCHEMBL14931114 0.90 ALDH1A1 (0.42) CTSSCTSKKMT2AMEN1NPSR1
SCHEMBL22805513 0.90 ALDH1A1 (0.42) CTSSCTSKKMT2AMEN1NPSR1
SCHEMBL29770925 0.90 ALDH1A1 (0.42) CTSSCTSKKMT2AMEN1NPSR1
SCHEMBL14923577 0.90 ALDH1A1 (0.42) CTSSCTSKKMT2AMEN1NPSR1
SCHEMBL29770927 0.90 ALDH1A1 (0.42) CTSSCTSKKMT2AMEN1NPSR1
SCHEMBL21349963 0.82 GPR88 (0.53) CTSSCTSK
SCHEMBL2394556 0.81 KDM4E (0.44) KDM4ECTSSCTSKKMT2AREN
SCHEMBL2394550 0.81 KDM4E (0.44) KDM4ECTSSCTSKKMT2AREN

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 5 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

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 KDM4E 1701/4885CTSS 335/4885CTSK 884/4885

“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.