SCHEMBL3015219

SCHEMBL3015219

O=c1nc(/C=C/c2ccccc2)[nH]cc1OC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.34
▸ TUBB4A P04350 3/20 0.33
▸ TUBB P07437 3/20 0.33
▸ TUBA3C P0DPH7 3/20 0.33
▸ TUBA1B P68363 3/20 0.33
▸ TUBA4A P68366 3/20 0.33
▸ TUBB4B P68371 3/20 0.33
▸ TUBB3 Q13509 3/20 0.33
▸ TUBB2A Q13885 3/20 0.33
▸ TUBB8 Q3ZCM7 3/20 0.33
▸ TUBA3E Q6PEY2 3/20 0.33
▸ TUBA1A Q71U36 3/20 0.33
▸ TUBA1C Q9BQE3 3/20 0.33
▸ TUBB6 Q9BUF5 3/20 0.33
▸ TUBB2B Q9BVA1 3/20 0.33
▸ TUBB1 Q9H4B7 3/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL3015223 1.00 PDE4B (0.34) PDE4BTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14358188 0.78 TUBB4A (0.38) PDE4BTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14358192 0.78 TUBB4A (0.38) PDE4BTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3016309 0.70 DHFR (0.41) PDE4BMGLLKDM4CTGFBR1RAB9A
SCHEMBL3016307 0.70 DHFR (0.41) PDE4BMGLLKDM4CTGFBR1RAB9A
SCHEMBL12046269 0.70 KDM4C (0.37) PDE4BMGLLKDM4CTGFBR1PTPN1
SCHEMBL3022479 0.69 KDM4C (0.33) KDM4CTGFBR1DHFR
SCHEMBL3022475 0.69 KDM4C (0.33) KDM4CTGFBR1DHFR
SCHEMBL25191357 0.68 NFKB1 (0.44) MGLLPTPN1ALDH1A1RAB9ANPC1
SCHEMBL30788461 0.68 KDM4C (0.41) PDE4BKDM4CPTPN1SMN1; SMN2DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044077-B1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LTD (GB) 2016-10-05 — — EP disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 — — US disclosed
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 — — US disclosed
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 — — EP disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 — — US disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 — — EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 — — EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 — — WO disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 — — WO 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 (2 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH PDE4B 4690/4885TUBB4A 280/4885TUBB 37/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ PDE4B 1998/4885TUBB4A 1014/4885TUBB 625/4885

“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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