SCHEMBL10243779

SCHEMBL10243779

COC(=O)NCCNC(C)c1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.44
RORC P51449 2/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
PHGDH O43175 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL10244023 0.86 HDAC3 (0.46) ACACBKMT2ALMNATP53OPRM1
SCHEMBL10282510 0.82 ACACB (0.39) ACACBRORCKMT2ALMNATP53
SCHEMBL335243 0.80 RORC (0.42) ACACBRORCLMNAOPRM1PHGDH
SCHEMBL10244094 0.79 RORC (0.43) ACACBRORC
SCHEMBL10244285 0.76 ESR1 (0.42) ACACBLMNAOPRM1ALDH1A1
SCHEMBL10243815 0.75 KMT2A (0.41) ACACBKMT2AALDH1A1
SCHEMBL10243828 0.73 GAA (0.48) ACACBLMNATP53
SCHEMBL10243724 0.72 KMT2A (0.44) ACACBKMT2AALDH1A1
SCHEMBL10245497 0.72 ALDH1A1 (0.52) KMT2ATP53ALDH1A1
SCHEMBL10243646 0.71 EPHX2 (0.41) KMT2ALMNAPHGDH

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 ACACB 4596/4885RORC 80/4885KMT2A 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.