SCHEMBL671333

SCHEMBL671333

CCOC(=O)c1cc([N+](=O)[O-])c(N)cc1OCC(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
GALR2 O43603 1/20 0.49
MITF O75030 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HPGD P15428 1/20 0.49
XBP1 P17861 1/20 0.49
CCR6 P51684 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 7/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 1/20 0.41
MLNR O43193 1/20 0.39
ADRB2 P07550 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
SCHEMBL27146761 0.88 PDGFRB (0.43) ALDH1A1LMNASMN1; SMN2POLBGALR2
SCHEMBL1965955 0.88 MAPT (0.52) ALDH1A1LMNASMN1; SMN2POLBGALR2
SCHEMBL11951423 0.85 MAPT (0.41) ALDH1A1LMNASMN1; SMN2POLBGALR2
SCHEMBL1725466 0.85 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2HSP90AA1HPGD
SCHEMBL1966811 0.85 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2POLBGALR2
SCHEMBL1964708 0.85 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2POLBGALR2
SCHEMBL671042 0.84 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2POLBGALR2
SCHEMBL670299 0.84 LMNA (0.41) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL9793698 0.83 MAPT (0.52) ALDH1A1LMNASMN1; SMN2POLBGALR2
SCHEMBL1967855 0.83 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2POLBGALR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103097359-B Compounds as microsomal prostaglandin E2 synthase-1 inhibitors 贝林格尔.英格海姆国际有限公司 2016-08-17 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
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
EP-2606036-B1 2-ANILINOBENZIMIDAZOLE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-08 EP disclosed
US-8759537-B2 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759537-B2 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 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
EP-2606036-A1 NEW COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP disclosed
US-20120214786-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
WO-2012022793-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed
WO-2012022793-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO 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 (4 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 ALDH1A1 1761/4885LMNA 1740/4885SMN1; SMN2 3747/4885
US-20120214786-A1 NEW COMPOUNDS PTGER1, PTGS1, PTGES ALDH1A1 184/4885LMNA 2388/4885SMN1; SMN2 3969/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX ALDH1A1 1761/4885LMNA 1740/4885SMN1; SMN2 3747/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX ALDH1A1 1761/4885LMNA 1740/4885SMN1; 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.