SCHEMBL335111

SCHEMBL335111

COc1ccc(O)c(C(C)NCCN)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 4/20 0.47
MEN1 O00255 4/20 0.47
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
ADRA2A P08913 2/20 0.44
ADRA1A P35348 2/20 0.44
ACHE P22303 2/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MAPT P10636 2/20 0.42
BLM P54132 2/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 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
SCHEMBL10244519 0.81 MTNR1A (0.43) KMT2AALDH1A1GAAMEN1KDM4E
SCHEMBL7149085 0.74 ADRA1A (0.70) KMT2AALDH1A1GAAMEN1KDM4E
SCHEMBL335140 0.74 POLB (0.60) KMT2AALDH1A1GAAMEN1KDM4E
SCHEMBL18575437 0.74 PKM (0.57) KMT2AALDH1A1GAAMEN1ACHE
SCHEMBL9207541 0.74 ADRA2A (0.57) KMT2AALDH1A1GAAMEN1KDM4E
SCHEMBL335431 0.73 NFKB1 (0.57) GAAACHEBLMTSHRMAPK1
SCHEMBL1494382 0.73 THRB (0.52) KMT2AALDH1A1GAAMEN1KDM4E
SCHEMBL51662 0.73 GAA (0.52) KMT2AALDH1A1GAAMEN1KDM4E
SCHEMBL335043 0.73 CASR (0.62) KMT2AMEN1L3MBTL1POLB
SCHEMBL13637390 0.73 RORC (0.54) KMT2AALDH1A1GAAMEN1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP 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 (1 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 KMT2A 939/4885ALDH1A1 1939/4885GAA 551/4885

“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.