SCHEMBL10244577

SCHEMBL10244577

COC(=O)NCCNC(C)c1cnn(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.37
NAMPT P43490 2/20 0.37
OPRM1 P35372 2/20 0.35
P2RX7 Q99572 4/20 0.35
OPRD1 P41143 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
EP300 Q09472 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL10244071 0.77 TSHR (0.36) ALDH1A1HTTSMN1; SMN2OPRM1MEN1
SCHEMBL335165 0.75 OPRM1 (0.40) RAB9AALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL10243666 0.73 KMT2A (0.36) ALDH1A1HTTL3MBTL1KMT2AHSD17B10
SCHEMBL10244285 0.73 ESR1 (0.42) ALDH1A1HTTSMN1; SMN2OPRM1CYP3A4
SCHEMBL10243841 0.73 ADRB2 (0.39) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL10244023 0.72 HDAC3 (0.46) RAB9AALDH1A1NPC1OPRM1OPRD1
SCHEMBL26928852 0.70 PTGS1 (0.39) RAB9AALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL12650513 0.70 OPRM1 (0.44) RAB9AALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL10244110 0.69 KMT2A (0.40) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL10243724 0.69 KMT2A (0.44) RAB9AALDH1A1HTTSMN1; SMN2L3MBTL1

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 RAB9A 5/4885ALDH1A1 1939/4885HTT 868/4885

“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.