SCHEMBL4820940

SCHEMBL4820940

[CH2]/C=C/c1csc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.60
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48

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
SCHEMBL3080071 1.00 CYP2A6 (0.60) CYP2A6PTGS1PTGS2TUBB4ATUBB
SCHEMBL19881124 0.81 CYP2A6 (0.56) CYP2A6PTGS1PTGS2TUBB4ATUBB
SCHEMBL17891633 0.80 CYP2A6 (0.60) CYP2A6PTGS1PTGS2TUBB4ATUBB
SCHEMBL27330251 0.80 CYP2A6 (0.60) CYP2A6PTGS1PTGS2TUBB4ATUBB
SCHEMBL17742294 0.80 CYP2A6 (0.60) CYP2A6PTGS1PTGS2TUBB4ATUBB
SCHEMBL80050 0.79 CYP2A6 (0.64) CYP2A6PTGS1PTGS2TUBB4ATUBB
SCHEMBL1294783 0.78 PTGS1 (0.62) CYP2A6PTGS1PTGS2TUBB4ATUBB
SCHEMBL1294782 0.78 PTGS1 (0.62) CYP2A6PTGS1PTGS2TUBB4ATUBB
SCHEMBL22409641 0.77 CYP2A6 (0.67) CYP2A6PTGS1PTGS2TUBB4ATUBB
SCHEMBL7544372 0.77 CYP2A6 (0.67) CYP2A6PTGS1PTGS2TUBB4ATUBB

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 CYP2A6 23/4885PTGS1 2197/4885PTGS2 2168/4885

“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.