SCHEMBL2045688

SCHEMBL2045688

O=c1[nH]n(-c2ccc(O)c(Cl)c2)c(=O)n1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
GAA P10253 3/20 0.39
THRB P10828 1/20 0.39
NTRK1 P04629 1/20 0.38
IGF1R P08069 1/20 0.38
FGFR1 P11362 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
ESR2 Q92731 2/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ESR1 P03372 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
HSP90AA1 P07900 2/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL2045853 0.84 GAA (0.41) GAATHRBNTRK1IGF1RFGFR1
SCHEMBL2042298 0.83 NTRK1 (0.45) TP53GAATHRBNTRK1IGF1R
SCHEMBL13719994 0.81 KMT2A (0.36) TP53GAANTRK1IGF1RFGFR1
SCHEMBL2035877 0.80 GAA (0.46) TP53GAATHRBKMT2AMEN1
SCHEMBL2041567 0.79 GAA (0.44) GAANTRK1IGF1RFGFR1NTRK3
SCHEMBL264757 0.78 GSK3A (0.54) GAANTRK1IGF1RFGFR1NTRK3
SCHEMBL11613205 0.76 MEN1 (0.47) GAATHRBKMT2AMEN1GSK3A
SCHEMBL23895082 0.75 GSK3A (0.50) GAANTRK1IGF1RFGFR1NTRK3
SCHEMBL2043266 0.74 AURKA (0.46) TP53GAANTRK1IGF1RFGFR1
SCHEMBL2040235 0.74 LMNA (0.41) TP53GAATHRBKMT2AMEN1

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
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US disclosed
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US disclosed
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US disclosed
US-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 US disclosed
US-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 US disclosed
US-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 US disclosed
EP-2515914-A1 TYROSINE BIOCONJUGATION THROUGH AQUEOUS ENE-LIKE REACTIONS The Scripps Research Institute (US) 2012-10-31 EP disclosed
WO-2011079315-A1 TYROSINE BIOCONJUGATION THROUGH AQUEOUS ENE-LIKE REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-30 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 (2 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-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH TP53 1507/4885GAA 410/4885THRB 1322/4885
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH TP53 1507/4885GAA 410/4885THRB 1322/4885

“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.