SCHEMBL10243687

SCHEMBL10243687

COC(=O)NCCNC(C)c1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HTR1A P08908 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
SLC6A2 P23975 1/20 0.52
HRH2 P25021 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HRH1 P35367 1/20 0.52
OPRM1 P35372 1/20 0.52
DRD3 P35462 1/20 0.52
OPRK1 P41145 1/20 0.52
HTR2B P41595 1/20 0.52
HTR5A P47898 1/20 0.52
HTR6 P50406 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
GPR65 Q8IYL9 1/20 0.52
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL10243804 0.85 OPRK1 (0.44) CASRKMT2AHTR1AADRA2BADRA2C
SCHEMBL10243848 0.85 OPRK1 (0.44) CASRKMT2AHTR1AADRA2BADRA2C
SCHEMBL10243996 0.83 CASR (0.42) CASRMEN1KMT2ASLC6A2CYP3A4
SCHEMBL28360621 0.80 POLB (0.64) CASRMEN1KMT2APOLBSMN1; SMN2
SCHEMBL13137644 0.80 CASR (0.64) CASRMEN1KMT2AHTR1AADRA2B
SCHEMBL10243752 0.80 POLB (0.48) MEN1KMT2APOLBSMN1; SMN2ROCK1
SCHEMBL335043 0.79 CASR (0.62) CASRMEN1KMT2AHTR1AADRA2B
SCHEMBL10244519 0.77 MTNR1A (0.43) MEN1KMT2AMTNR1AMTNR1BL3MBTL1
SCHEMBL10244323 0.77 SLC22A3 (0.51) CYP3A4
SCHEMBL353007 0.76 CASR (0.57) CASRMEN1KMT2AHTR1AADRA2B

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 4 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-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
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 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 (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 CASR 4435/4885MEN1 2456/4885KMT2A 939/4885

“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.