SCHEMBL4817469

SCHEMBL4817469

[CH2]/C=C/c1cncc(Nc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 2/20 0.40
▸ CHRNA3 P32297 2/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ XDH P47989 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ AR P10275 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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) CHRNB4CHRNA3PTGS2CYP11B1CYP11B2
SCHEMBL4814459 0.70 KDR (0.35) AKT1HTTSIRT2SIRT1SIRT3
SCHEMBL4812166 0.70 ROCK2 (0.41) CHRNB4CHRNA3XDHSLC22A12MAPT
SCHEMBL13885065 0.69 TSHR (0.59) CHRNB4CHRNA3HSD17B10XDHSLC22A12
SCHEMBL4192415 0.69 XDH (0.59) CHRNB4CHRNA3HSD17B10XDHSLC22A12
SCHEMBL4147660 0.69 HSD17B10 (0.48) CHRNB4CHRNA3HSD17B10XDHSLC22A12
SCHEMBL8444210 0.69 CDK2 (0.50) CHRNB4CHRNA3HSD17B10XDHSLC22A12
SCHEMBL4819246 0.68 HTT (0.55) ALDH1A1MEN1KMT2ATDP1ALOX15
SCHEMBL14005526 0.66 SLC22A12 (0.45) CHRNB4CHRNA3HSD17B10XDHSLC22A12
SCHEMBL7059764 0.65 HSD17B10 (0.60) HSD17B10ALDH1A1MEN1MAPTKMT2A

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 CHRNB4 1253/4885CHRNA3 1557/4885HSD17B10 852/4885

“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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