SCHEMBL1726342

SCHEMBL1726342

COc1cc(N)c(N)cc1C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
MAPT P10636 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
HSD17B10 Q99714 2/20 0.63
GFER P55789 2/20 0.63
POLB P06746 3/20 0.60
ABCB1 P08183 1/20 0.58
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
KMT2A Q03164 7/20 0.54
MEN1 O00255 4/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 1/20 0.54
NPC1 O15118 3/20 0.53
MAPK1 P28482 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL1973112 0.88 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL1725338 0.85 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL1671607 0.84 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL14345265 0.83 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL16448830 0.81 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL11852488 0.81 MAPT (0.58) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL14345413 0.80 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL1351280 0.80 POLB (0.70) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL2573168 0.79 BRAF (0.59) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL14345353 0.79 KLKB1 (0.56) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040565-B2 1H-benzimidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-05-26 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
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-20120122930-A1 1H-Benzimidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 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
EP-2334664-A1 1H-BENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 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
WO-2010034797-A1 1H-BENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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-20120122930-A1 1H-Benzimidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, MAP4 ALDH1A1 1080/4885MAPT 515/4885SMN1; SMN2 3372/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX ALDH1A1 1761/4885MAPT 4403/4885SMN1; SMN2 3747/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX ALDH1A1 1761/4885MAPT 4403/4885SMN1; SMN2 3747/4885

“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.