SCHEMBL4822196

SCHEMBL4822196

[CH2]/C=C/c1cncc(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
ATM Q13315 1/20 0.42
CYP11B1 P15538 5/20 0.41
CYP11B2 P19099 5/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CHRNA7 P36544 1/20 0.39
HDAC1 Q13547 2/20 0.38
CYP19A1 P11511 1/20 0.37
KDM1A O60341 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
FDPS P14324 3/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
CYP1A1 P04798 1/20 0.36

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
SCHEMBL4814697 0.86 CYP2A6 (0.52) CYP11B1CYP11B2MKNK1MKNK2CYP19A1
SCHEMBL11445820 0.81 PTGS2 (0.56) PTGS2ATMCYP11B1CYP11B2MKNK1
SCHEMBL9000337 0.80 CYP11B1 (0.44) PTGS2ATMCYP11B1CYP11B2MKNK1
SCHEMBL6753903 0.78 CYP2A6 (0.49) HDAC1KDM1AHDAC6CYP1A2
SCHEMBL2106457 0.77 MKNK1 (0.47) PTGS2ATMCYP11B1CYP11B2MKNK1
SCHEMBL30345862 0.77 MKNK1 (0.47) PTGS2ATMCYP11B1CYP11B2MKNK1
SCHEMBL5456890 0.77 ATM (0.45) PTGS2ATMCYP11B1CYP11B2MKNK1
SCHEMBL6654480 0.76 CYP2A6 (0.41) PTGS2MKNK2HDAC1KDM1AHDAC6
SCHEMBL6654481 0.76 CYP2A6 (0.41) PTGS2MKNK2HDAC1KDM1AHDAC6
SCHEMBL9320139 0.76 BCL2L1 (0.43) PTGS2CYP19A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US claimed
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-22 US claimed
EP-1661904-A1 NOVEL AZALIDE AND AZALACTAM DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2006-05-31 EP claimed
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US disclosed
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-22 US disclosed
EP-1661904-A1 NOVEL AZALIDE AND AZALACTAM DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2006-05-31 EP 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-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same BCL6, NR4A1, NR4A2 PTGS2 2168/4885ATM 3945/4885CYP11B1 402/4885

“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.