SCHEMBL1725293

SCHEMBL1725293

N#Cc1cc([N+](=O)[O-])c(Cl)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.51
MERTK Q12866 2/20 0.44
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
GRIA1 P42261 2/20 0.41
GRIA2 P42262 2/20 0.41
GRIA3 P42263 2/20 0.41
GRIA4 P48058 2/20 0.41
GRM6 O15303 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL1291838 0.86 VCAM1 (0.51) VCAM1MERTKMAPTALDH1A1HTT
SCHEMBL7642508 0.85 VCAM1 (0.58) VCAM1MERTKMAPTALDH1A1HTT
SCHEMBL31200186 0.84 VCAM1 (0.47) VCAM1MAPTALDH1A1HTTGRIA1
SCHEMBL57107 0.84 VCAM1 (0.47) VCAM1MAPTALDH1A1HTTGRIA1
SCHEMBL1624405 0.84 VCAM1 (0.56) VCAM1MERTKMAPTALDH1A1HTT
Potassium Ion SCHEMBL5158030 0.81 VCAM1 (0.45) VCAM1MAPTALDH1A1HTTGRIA1
SCHEMBL1343713 0.80 VCAM1 (0.61) VCAM1MERTKMAPTALDH1A1HTT
SCHEMBL9536669 0.80 VCAM1 (0.56) VCAM1MERTKMAPTALDH1A1HTT
SCHEMBL4614436 0.80 VCAM1 (0.47) VCAM1MAPTALDH1A1HTTGRIA1
SCHEMBL2241912 0.79 VCAM1 (0.44) VCAM1MAPTALDH1A1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939782-B Preparation method of fluorine-containing aryl compound 兰州康鹏威耳化工有限公司 2022-09-30 CN disclosed
CN-112939782-A Preparation method of fluorine-containing aryl compound 浙江华晶氟化学科技有限公司 2021-06-11 CN 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
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP 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
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO 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 VCAM1 1862/4885MERTK 4651/4885MAPT 4403/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX VCAM1 1862/4885MERTK 4651/4885MAPT 4403/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX VCAM1 1862/4885MERTK 4651/4885MAPT 4403/4885

“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.