SCHEMBL1725919

SCHEMBL1725919

CC(C)(C)OC(=O)NCc1ccc(C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNA1C Q13936 1/20 0.43
AR P10275 4/20 0.41
PGR P06401 1/20 0.41
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM2 Q14416 1/20 0.40
GLS O94925 1/20 0.40
NAMPT P43490 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL7403833 0.83 ADRB2 (0.44) CYP3A4L3MBTL1LMNAMEN1KMT2A
SCHEMBL3101339 0.83 TSHR (0.51) CYP3A4LMNAMEN1KMT2A
SCHEMBL3655864 0.82 HPGD (0.45) CYP3A4L3MBTL1NAMPTCA1CA2
SCHEMBL6680706 0.82 ALDH1A1 (0.53) CYP3A4LMNAMEN1KMT2A
SCHEMBL15385130 0.81 CACNA1H (0.46) CACNA1HCACNA1BCACNA1CL3MBTL1LMNA
SCHEMBL30600397 0.81 KMT2A (0.45) CYP3A4L3MBTL1KMT2ANAMPTCA1
SCHEMBL3654154 0.81 KMT2A (0.45) CYP3A4L3MBTL1KMT2ANAMPTCA1
SCHEMBL8650394 0.81 L3MBTL1 (0.42) L3MBTL1LMNAMEN1KMT2AGRM2
SCHEMBL24970178 0.80 NOTUM (0.48) CACNA1HCACNA1BCACNA1CL3MBTL1LMNA
SCHEMBL31142856 0.80 NOTUM (0.48) CACNA1HCACNA1BCACNA1CL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
CN-102341395-B 3H-imidazo [4,5-c ] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INT 2014-07-30 CN disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
CN-102341395-A 3H-imidazo [4,5-c ] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INT 2012-02-01 CN disclosed
EP-2403852-A1 3H-IMIDAZO [4, 5 -C]PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2012-01-11 EP disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 WO disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 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 (3 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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX CACNA1H 1178/4885CACNA1B 928/4885CACNA1C 649/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX CACNA1H 1178/4885CACNA1B 928/4885CACNA1C 649/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX CACNA1H 1178/4885CACNA1B 928/4885CACNA1C 649/4885

“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.