SCHEMBL273449

SCHEMBL273449

COC(=O)c1cc(C)c([N+](=O)[O-])cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.62
FGFR1 P11362 1/20 0.62
PDGFRA P16234 1/20 0.62
FLT1 P17948 1/20 0.62
FGFR3 P22607 1/20 0.62
KDR P35968 1/20 0.62
ALDH1A1 P00352 3/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 2/20 0.47
VCAM1 P19320 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
LMNA P02545 2/20 0.44
HSP90AA1 P07900 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL29368901 0.91 PDGFRB (0.60) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL5548828 0.91 PDGFRB (0.60) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1721029 0.91 PDGFRB (0.68) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL4097915 0.90 PDGFRB (0.55) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2897709 0.90 PDGFRB (0.67) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12604704 0.88 PDGFRB (0.56) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL14993469 0.87 PDGFRB (0.59) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL20594284 0.87 PDGFRB (0.59) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL19389743 0.87 PDGFRB (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12190692 0.85 PDGFRB (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3

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
EP-2010489-B1 DIALKYLPHENYL COMPOUNDS HAVING 2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC (US) 2012-08-22 EP disclosed
US-8134006-B2 Dialkylphenyl compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2012-03-13 US disclosed
US-8030309-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-04 US disclosed
EP-2010490-B1 CRYSTALLINE FORMS OF A DIMETHYLPHENYL COMPOUND THERAVANCE INC (US) 2011-08-17 EP disclosed
US-20110086881-A1 CRYSTALLINE FORMS OF A DIMETHYLPHENYL COMPOUND THERAVANCE, INC. (US) 2011-04-14 US disclosed
US-7880010-B2 form 1 of crystalline free base of biphenyl-2-ylcarbamic acid 1-[2-(4-{[(R)-2-(3-formylamino-4-hydroxyphenyl)-2-hydroxyethylamino]methyl}-2,5-dimethylphenylcarbamoyl)ethyl]piperidin-4-yl ester; useful for treating pulmonary disorders, such as asthma and chronic obstructive pulmonary disease THERAVANCE, INC. (US) 2011-02-01 US disclosed
US-20110015203-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-20100137603-A1 DIALKYLPHENYL COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2010-06-03 US disclosed
US-7687521-B2 Dialkylphenyl compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2010-03-30 US disclosed
US-20090176833-A1 DIALKYLPHENYL COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-09 US disclosed
CN-101426764-A Having beta2Dialkylphenyl compounds with adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE INC (US) 2009-05-06 CN disclosed
CN-101426765-A Crystalline forms of dimethylphenyl compounds THERAVANCE INC (US) 2009-05-06 CN disclosed
US-7524965-B2 Dialkylphenyl compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2009-04-28 US disclosed
EP-2010489-A2 DIALKYLPHENYL COMPOUNDS HAVING 2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY Theravance, Inc. (US) 2009-01-07 EP disclosed
EP-2010490-A2 CRYSTALLINE FORMS OF A DIMETHYLPHENYL COMPOUND Theravance, Inc. (US) 2009-01-07 EP disclosed
WO-2007127297-A2 CRYSTALLINE FORMS OF A DIMETHYLPHENYL COMPOUND THERAVANCE, INC. (US) 2007-11-08 WO disclosed
WO-2007127196-A2 DIALKYLPHENYL COMPOUNDS HAVING β2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2007-11-08 WO disclosed
US-20070249675-A1 Dialkylphenyl compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE BIOPHARMA R&D IP, LLC 2007-10-25 US disclosed
US-20070249674-A1 Crystalline forms of a dimethylphenyl compound THERAVANCE BIOPHARMA R&D IP, LLC 2007-10-25 US 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 (6 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-20070249674-A1 Crystalline forms of a dimethylphenyl compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PKD2, PKD1 PDGFRB 1056/4885FGFR1 255/4885PDGFRA 1212/4885
US-20110086881-A1 CRYSTALLINE FORMS OF A DIMETHYLPHENYL COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PKD2, PKD1 PDGFRB 1056/4885FGFR1 255/4885PDGFRA 1212/4885
US-20100137603-A1 DIALKYLPHENYL COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ADRB2, ADRB1, ADRA2C PDGFRB 519/4885FGFR1 895/4885PDGFRA 707/4885
US-20090176833-A1 DIALKYLPHENYL COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ADRB2, ADRB1, ADRA2C PDGFRB 519/4885FGFR1 895/4885PDGFRA 707/4885
US-20070249675-A1 Dialkylphenyl compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity ADRB2, ADRB1, ADRA2C PDGFRB 519/4885FGFR1 895/4885PDGFRA 707/4885
US-20110015203-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 PDGFRB 1271/4885FGFR1 2442/4885PDGFRA 2094/4885

“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.