SCHEMBL273479

SCHEMBL273479

C=CC(=O)Nc1cc(C)c(I)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.43
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
F13A1 P00488 1/20 0.36
LMNA P02545 1/20 0.36
TGM1 P22735 1/20 0.36
TGM3 Q08188 1/20 0.36
RORC P51449 2/20 0.36
PTPN1 P18031 1/20 0.36
PTPN11 Q06124 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 2/20 0.35
MAPK3 P27361 1/20 0.35
MAPT P10636 1/20 0.35
BTK Q06187 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL2211826 0.80 KMT2A (0.40) LMNAPOLBKMT2AMAPT
SCHEMBL18763028 0.79 TGM2 (0.43) TGM2MAOAMAOBF13A1LMNA
SCHEMBL12038215 0.78 ALDH1A1 (0.47) LMNAPOLBKMT2AMAPT
SCHEMBL19089490 0.77 MAPT (0.50) TGM2KMT2AMAPTBTK
SCHEMBL11037348 0.74 RORC (0.46) TGM2LMNARORCMAPK1POLB
SCHEMBL5078477 0.74 MEN1 (0.61) TGM2LMNAKMT2AMAPT
SCHEMBL31162339 0.74 MEN1 (0.61) TGM2LMNAKMT2AMAPT
SCHEMBL21894170 0.74 TGM2 (0.58) TGM2LMNAPOLBKMT2AMAPK3
SCHEMBL31162390 0.74 TGM2 (0.58) TGM2LMNAPOLBKMT2AMAPK3
SCHEMBL23293735 0.72 TGM2 (0.47) TGM2MAOAMAOBF13A1LMNA

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 11 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
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-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
US-7524965-B2 Dialkylphenyl compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2009-04-28 US 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 (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-20070249674-A1 Crystalline forms of a dimethylphenyl compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PKD2, PKD1 TGM2 2281/4885MAOA 2449/4885MAOB 1149/4885
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 TGM2 2281/4885MAOA 2449/4885MAOB 1149/4885
US-20100137603-A1 DIALKYLPHENYL COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ADRB2, ADRB1, ADRA2C TGM2 3826/4885MAOA 918/4885MAOB 814/4885
US-20090176833-A1 DIALKYLPHENYL COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ADRB2, ADRB1, ADRA2C TGM2 3826/4885MAOA 918/4885MAOB 814/4885
US-20070249675-A1 Dialkylphenyl compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity ADRB2, ADRB1, ADRA2C TGM2 3826/4885MAOA 918/4885MAOB 814/4885

“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.