SCHEMBL10243738

SCHEMBL10243738

COC(=O)NCCNC(C)c1cc(C)nn1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.34
APAF1 O14727 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 7/20 0.34
CYP3A4 P08684 3/20 0.34
HPGD P15428 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 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
SCHEMBL10243666 0.77 KMT2A (0.36) POLBALDH1A1KMT2ATSHRTP53
SCHEMBL334876 0.77 LMNA (0.34) SMN1; SMN2LMNAAPAF1POLBALDH1A1
SCHEMBL10243520 0.73 RAB9A (0.38) SMN1; SMN2POLBALDH1A1CYP3A4CYP1A2
SCHEMBL10244130 0.70 RAB9A (0.38) SMN1; SMN2ALDH1A1HPGDSLC6A2SLC6A4
SCHEMBL10244577 0.69 RAB9A (0.38) SMN1; SMN2ALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL10243841 0.69 ADRB2 (0.39) SMN1; SMN2LMNAALDH1A1SLC6A2SLC6A4
SCHEMBL10244071 0.68 TSHR (0.36) SMN1; SMN2LMNAAPAF1ALDH1A1SLC6A2
SCHEMBL10429623 0.67 LMNA (0.45) SMN1; SMN2LMNAAPAF1POLBALDH1A1
SCHEMBL10244285 0.66 ESR1 (0.42) SMN1; SMN2LMNAAPAF1ALDH1A1CYP3A4
SCHEMBL10244110 0.66 KMT2A (0.40) LMNAPOLBALDH1A1CYP3A4CYP1A2

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 SMN1; SMN2 3120/4885LMNA 1467/4885APAF1 2297/4885

“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.