SCHEMBL1726418

SCHEMBL1726418

CNc1ccc(C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.60
KMT2A Q03164 10/20 0.58
MEN1 O00255 9/20 0.58
HTT P42858 2/20 0.58
MAPT P10636 6/20 0.57
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.57
CDC25B P30305 1/20 0.52
NPC1 O15118 1/20 0.52
RECQL P46063 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
TP53 P04637 1/20 0.51
CYP3A4 P08684 2/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL1726083 0.82 MAPT (0.62) HCAR3KMT2AMEN1MAPTALDH1A1
SCHEMBL1724611 0.82 AKR1C2 (0.67) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL1455196 0.82 KMT2A (0.73) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL2253159 0.81 HCAR3 (0.74) HCAR3KMT2AMEN1HTTMAPT
SCHEMBL10169993 0.79 KMT2A (0.48) HCAR3KMT2AMEN1HTTMAPT
SCHEMBL1964851 0.79 TP53 (0.56) KMT2AMEN1MAPTLMNANPC1
SCHEMBL4253854 0.77 MAPT (0.66) MAPT
SCHEMBL1975633 0.77 ALDH1A1 (0.52) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL339294 0.77 HCAR3 (0.58) HCAR3KMT2AHTTMAPTALDH1A1
SCHEMBL321911 0.76 HCAR3 (1.00) HCAR3KMT2AMEN1CDC25BTSHR

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-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 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-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US 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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
CN-102224143-A 1h-benzimidazole-5-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INT 2011-10-19 CN disclosed
EP-2334652-A1 1H-BENZ IMIDAZOLE-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
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-2010034796-A1 1H-BENZ IMIDAZOLE-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 (5 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 HCAR3 146/4885KMT2A 3186/4885MEN1 2565/4885
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 HCAR3 693/4885KMT2A 1047/4885MEN1 2080/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 HCAR3 94/4885KMT2A 3477/4885MEN1 3942/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX HCAR3 146/4885KMT2A 3186/4885MEN1 2565/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX HCAR3 146/4885KMT2A 3186/4885MEN1 2565/4885

“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.