SCHEMBL10243853

SCHEMBL10243853

COC(=O)NCCNC(C)c1ccc(-n2nnc(CO)c2CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.37
NOTUM Q6P988 1/20 0.36
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
LPAR1 Q92633 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ACACB O00763 1/20 0.31

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
SCHEMBL10245497 0.74 ALDH1A1 (0.52) ALDH1A1NOTUMSMN1; SMN2POLBTP53
SCHEMBL10244285 0.73 ESR1 (0.42) ALDH1A1CYP1A2SMN1; SMN2CA1CA2
SCHEMBL10243815 0.72 KMT2A (0.41) ALDH1A1MAPK1SMN1; SMN2POLBACACB
SCHEMBL10244023 0.71 HDAC3 (0.46) ALDH1A1LMNATP53ACACB
SCHEMBL10243724 0.70 KMT2A (0.44) ALDH1A1L3MBTL1SMN1; SMN2ACACB
SCHEMBL10243779 0.70 ACACB (0.44) ALDH1A1LMNATP53ACACB
SCHEMBL10243828 0.69 GAA (0.48) L3MBTL1LMNATP53ACACB
SCHEMBL10243646 0.69 EPHX2 (0.41) SMN1; SMN2LMNA
SCHEMBL10243978 0.68 ALDH1A1 (0.51) ALDH1A1MAPK1CA1CA2CA4
SCHEMBL10243765 0.68 KMT2A (0.48) ALDH1A1L3MBTL1SMN1; SMN2LMNA

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 2 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

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 ALDH1A1 1939/4885CYP1A2 1928/4885NOTUM 2599/4885

“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.