SCHEMBL1726083

SCHEMBL1726083

CN(C)CCNc1ccc(C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
KMT2A Q03164 6/20 0.62
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 2/20 0.62
MEN1 O00255 4/20 0.58
NPC1 O15118 1/20 0.58
RECQL P46063 1/20 0.58
SLC2A1 P11166 2/20 0.57
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 1/20 0.53
BCL2 P10415 1/20 0.53
BCL2L1 Q07817 1/20 0.53
MCL1 Q07820 1/20 0.53
TOP2B Q02880 1/20 0.52
HCAR3 P49019 2/20 0.49

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
SCHEMBL7971817 0.83 ALDH1A1 (0.63) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1725459 0.82 TOP2B (0.53) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1726418 0.82 HCAR3 (0.60) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL17678391 0.81 ALDH1A1 (0.71) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL10502410 0.81 HCAR3 (0.74) MAPTKMT2AALDH1A1MEN1NPSR1
SCHEMBL9725429 0.79 PKM (0.65) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL7974178 0.79 ALDH1A1 (0.64) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL13043696 0.78 HTT (0.64) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9725412 0.78 ALDH1A1 (0.63) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL14106459 0.77 BCL2 (0.58) MAPTKMT2AMEN1NPC1RECQL

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 19 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
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
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-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
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
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 MAPT 4403/4885KMT2A 3186/4885ALDH1A1 1761/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX MAPT 4403/4885KMT2A 3186/4885ALDH1A1 1761/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX MAPT 4403/4885KMT2A 3186/4885ALDH1A1 1761/4885

“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.