SCHEMBL2260182

SCHEMBL2260182

CC(=O)N1C(=O)Cc2c1ccc(F)c2F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.50
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
CES1 P23141 2/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
PDE5A O76074 1/20 0.33
CES2 O00748 1/20 0.32
AMPD2 Q01433 1/20 0.32
NPC1 O15118 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AKT1 P31749 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL12290732 0.72 NOTUM (0.57) NOTUMCES1GAASMN1; SMN2NOX1
SCHEMBL2259375 0.72 NOTUM (0.61) NOTUMMAPTKDM4ERAB9AALDH1A1
SCHEMBL9037305 0.70 P2RX7 (0.35) NOTUMMAPTKDM4EALDH1A1AMPD2
SCHEMBL5734705 0.69 NOTUM (0.53) NOTUMMAPTKDM4ECES1ALDH1A1
SCHEMBL1944443 0.69 NOTUM (0.61) NOTUMKDM4ECES1ALDH1A1PDE5A
SCHEMBL1908461 0.68 NOTUM (0.55) NOTUMPDE5A
SCHEMBL29850056 0.67 NOTUM (1.00) NOTUMMAPTKDM4ECES1ALDH1A1
SCHEMBL1304374 0.67 NOTUM (1.00) NOTUMMAPTKDM4ECES1ALDH1A1
SCHEMBL9835556 0.67 NOTUM (0.50) NOTUMALDH1A1PDE5AMEN1KMT2A
SCHEMBL6690377 0.67 PDE5A (0.67) NOTUMMAPTKDM4EALDH1A1HPGD

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 12 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
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
EP-2225196-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES Merck Frosst Canada Ltd. (CA) 2010-09-08 EP disclosed
WO-2009067797-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK FROSST CANADA LTD. (CA) 2009-06-04 WO 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 NOTUM 3226/4885MAPT 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.