SCHEMBL4814459

SCHEMBL4814459

[CH2]/C=C/c1cncc(Sc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.35
▸ CYP11B1 P15538 2/20 0.34
▸ CYP11B2 P19099 2/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ SIRT3 Q9NTG7 1/20 0.33
▸ AKT1 P31749 2/20 0.33
▸ MAOA P21397 2/20 0.31
▸ MAOB P27338 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ICAM1 P05362 1/20 0.31
▸ SELE P16581 1/20 0.31
▸ HTR2C P28335 1/20 0.30
▸ HTR6 P50406 1/20 0.30
▸ PDGFRB P09619 1/20 0.30
▸ PDGFRA P16234 1/20 0.30

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
SCHEMBL4822196 0.74 PTGS2 (0.42) CYP11B1CYP11B2
SCHEMBL4812166 0.70 ROCK2 (0.41) SIRT2SIRT1SIRT3AKT1
SCHEMBL4817469 0.70 CHRNB4 (0.40) CYP11B1CYP11B2SIRT2SIRT1SIRT3
SCHEMBL24692934 0.69 PRMT5 (0.37) CYP11B1CYP11B2PRMT5WDR77SIRT2
SCHEMBL4815353 0.69 HTT (0.44) CYP11B1CYP11B2PRMT5WDR77SIRT2
SCHEMBL4819246 0.68 HTT (0.55) KDRHTT
SCHEMBL16056949 0.65 ATM (0.48) MAOAMAOBHPGDHTTHTR2C
SCHEMBL6753903 0.65 CYP2A6 (0.49) HPGDHTT
(Z)-1,2-Diphenylethene SCHEMBL28697336 0.65 MAOB (0.52) KDRCYP11B1CYP11B2MAOAMAOB
SCHEMBL4814697 0.64 CYP2A6 (0.52) CYP11B1CYP11B2HPGDHTTPDGFRB

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 KDR 2700/4885CYP11B1 402/4885CYP11B2 531/4885

“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.

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