SCHEMBL10243752

SCHEMBL10243752

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPKAPK2 P49137 1/20 0.42
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
KCNH2 Q12809 1/20 0.39
ADRB3 P13945 2/20 0.39
S1PR1 P21453 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10244514 0.89 HTT (0.46) POLBALDH1A1ADRB3S1PR1HPGD
SCHEMBL10243848 0.81 OPRK1 (0.44) MAPKAPK2ADRB3KDM4ERAB9ALMNA
SCHEMBL10243804 0.81 OPRK1 (0.44) MAPKAPK2ADRB3KDM4ERAB9ALMNA
SCHEMBL10243687 0.80 CASR (0.56) POLBSMN1; SMN2CYP3A4MEN1KMT2A
SCHEMBL334883 0.79 MAPKAPK2 (0.47) POLBALDH1A1SMN1; SMN2MAPKAPK2ADRB3
SCHEMBL10243996 0.79 CASR (0.42) ALDH1A1KDM4ECYP3A4MEN1KMT2A
SCHEMBL10243918 0.78 POLB (0.43) POLBALDH1A1SMN1; SMN2KCNH2ADRB3
SCHEMBL10243646 0.76 EPHX2 (0.41) SMN1; SMN2CYP3A4LMNAMEN1KMT2A
SCHEMBL10243978 0.72 ALDH1A1 (0.51) ALDH1A1
SCHEMBL10244285 0.72 ESR1 (0.42) ALDH1A1SMN1; SMN2KCNH2ADRB3CYP1A2

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 POLB 3348/4885ALDH1A1 1939/4885SMN1; SMN2 3120/4885

“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.