SCHEMBL10244720

SCHEMBL10244720

CCn1cc(C#N)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.45
ELANE P08246 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
SDHB P21912 1/20 0.41
PGR P06401 4/20 0.40
ALDH1A1 P00352 2/20 0.40
NR3C1 P04150 1/20 0.40
NR3C2 P08235 1/20 0.40
AR P10275 1/20 0.40
IDH1 O75874 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SCN7A Q01118 1/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP19A1 P11511 1/20 0.38
POLB P06746 1/20 0.38
SLC6A4 P31645 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL21322201 0.76 SDHB (0.42) L3MBTL1SDHBPGRNR3C1NR3C2
SCHEMBL24258071 0.75 L3MBTL1 (0.53) L3MBTL1SDHBALDH1A1ARIDH1
SCHEMBL12909926 0.74 CREBBP (0.48) CYP2A6ELANEALDH1A1IDH1POLB
SCHEMBL11983452 0.71 ALDH1A1 (0.60) ELANEALDH1A1POLBKDM4E
SCHEMBL5183958 0.70 ACVRL1 (0.46) HRH3SCN7A
SCHEMBL12217560 0.69 CREBBP (0.42) CYP2A6L3MBTL1ALDH1A1POLBKDM4E
SCHEMBL15393378 0.69 CREBBP (0.39) ALDH1A1POLBKDM4E
SCHEMBL16190092 0.69 NPY5R (0.39) ALDH1A1POLBKDM4E
SCHEMBL25153722 0.69 MAP2K2 (0.40) ALDH1A1POLBKDM4E
SCHEMBL252411 0.69 KMT2A (0.41) L3MBTL1ALDH1A1POLBKDM4E

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 CYP2A6 1339/4885ELANE 88/4885L3MBTL1 2853/4885

“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.