SCHEMBL2260925

SCHEMBL2260925

COCCC1C(=O)Nc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.64
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GSK3B P49841 2/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TDO2 P48775 3/20 0.49
ALDH1A1 P00352 1/20 0.49
HTR7 P34969 3/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
EGFR P00533 1/20 0.44

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
SCHEMBL7041168 0.81 IDO1 (0.70) IDO1MAPTKDM4EGSK3BGAA
SCHEMBL2693278 0.81 IDO1 (0.64) IDO1MAPTKDM4EGSK3BGAA
SCHEMBL320134 0.79 IDO1 (0.57) IDO1MAPTKDM4EGSK3BGAA
SCHEMBL16264954 0.79 IDO1 (0.66) IDO1MAPTKDM4EGSK3BGAA
SCHEMBL2006791 0.78 IDO1 (1.00) IDO1MAPTKDM4EGSK3BGAA
SCHEMBL8034325 0.78 IDO1 (0.70) IDO1MAPTKDM4EGSK3BGAA
SCHEMBL397709 0.78 IDO1 (0.70) IDO1MAPTKDM4EGSK3BGAA
SCHEMBL5814656 0.77 IDO1 (0.64) IDO1MAPTKDM4EGSK3BGAA
SCHEMBL8999189 0.77 IDO1 (0.55) IDO1MAPTKDM4EGSK3BGAA
SCHEMBL319038 0.77 IDO1 (0.55) IDO1MAPTKDM4EGSK3BGAA

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
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
US-8829006-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2225223-A2 ORGANIC COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009065919-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
WO-2009065919-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 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-20110195954-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA IDO1 2295/4885MAPT 615/4885KDM4E 4390/4885

“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.