SCHEMBL335158

SCHEMBL335158

COc1ccc(C(C)NCCN)c(O)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.40
CES2 O00748 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
APEX1 P27695 1/20 0.34
KMT2A Q03164 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33

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
SCHEMBL10244507 0.81 MAPT (0.41) AOC3CES2MAPTTDP1MEN1
SCHEMBL335035 0.75 CA1 (0.53) MEN1LMNAKMT2A
SCHEMBL334582 0.70
SCHEMBL335431 0.70 NFKB1 (0.57) CYP3A4TSHRNFKB1LMNA
SCHEMBL335111 0.70 KMT2A (0.47) MAPTTDP1CYP1A2TSHRADRA2A
SCHEMBL28957717 0.69 AOC3 (0.49) AOC3CES2MAPTTDP1CYP3A4
SCHEMBL335140 0.67 POLB (0.60) CYP1A2CYP3A4TSHRADRA2AADRA1A
SCHEMBL18575556 0.67 SLC6A2 (0.42) CYP1A2CYP3A4TSHRADRA2AADRA1A
SCHEMBL9662703 0.67 LMNA (0.56) MAPTCYP1A2CYP3A4ADRA2AADRA1A
SCHEMBL1402474 0.66 MAPT (0.61) MAPTTDP1CYP3A4TSHRLMNA

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 AOC3 4508/4885CES2 4509/4885MAPT 4302/4885

“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.