SCHEMBL1343500

SCHEMBL1343500

CCOC(=O)c1[nH]c2ccc(NC(=O)c3ccccc3)cc2c1CCCNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
KDM4E B2RXH2 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
NQO2 P16083 1/20 0.46
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTR6 P50406 2/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 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
SCHEMBL1346732 0.91 BRD4 (0.44) MAPTKDM4ENPSR1ALDH1A1MEN1
SCHEMBL1346775 0.88 NQO2 (0.45) MAPTKDM4ENPSR1NQO2GAA
SCHEMBL1343747 0.88 NQO2 (0.48) MAPTKDM4ENPSR1NQO2GAA
SCHEMBL1345946 0.83 NQO2 (0.52) MAPTKDM4ENPSR1NQO2GAA
SCHEMBL1345671 0.83 NQO2 (0.52) MAPTKDM4ENPSR1NQO2GAA
SCHEMBL1345426 0.82 NQO2 (0.52) MAPTKDM4ENPSR1NQO2MTNR1A
SCHEMBL1345218 0.81 TRPM8 (0.54) MAPTKDM4ENPSR1NQO2GAA
SCHEMBL1343902 0.81 NQO2 (0.69) MAPTKDM4ENQO2GAARAB9A
SCHEMBL1345722 0.80 MAPT (0.42) MAPTKDM4ENQO2SMN1; SMN2RAB9A
SCHEMBL1346110 0.80 ALDH1A1 (0.48) MAPTKDM4ENPSR1NQO2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
WO-2008098096-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 WO disclosed
WO-2008098096-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 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-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS MAPKAPK2, IL2, MAP3K2 MAPT 2259/4885KDM4E 2027/4885NPSR1 3985/4885

“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.