Sugi Predict

Sugi Predict / Compounds / SCHEMBL1542836

SCHEMBL1542836

SCHEMBL1542836

COc1c(C(=O)c2cccc(N)c2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.46
▸ TUBB4A P04350 12/20 0.37
▸ TUBB P07437 12/20 0.37
▸ TUBA3C P0DPH7 12/20 0.37
▸ TUBA1B P68363 12/20 0.37
▸ TUBA4A P68366 12/20 0.37
▸ TUBB4B P68371 12/20 0.37
▸ TUBB3 Q13509 12/20 0.37
▸ TUBB2A Q13885 12/20 0.37
▸ TUBB8 Q3ZCM7 12/20 0.37
▸ TUBA3E Q6PEY2 12/20 0.37
▸ TUBA1A Q71U36 12/20 0.37
▸ TUBA1C Q9BQE3 12/20 0.37
▸ TUBB6 Q9BUF5 12/20 0.37
▸ TUBB2B Q9BVA1 12/20 0.37
▸ TUBB1 Q9H4B7 12/20 0.37
▸ PBRM1 Q86U86 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL1542920 0.90 CYP3A4 (0.46) CYP3A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1543192 0.89 CYP3A4 (0.47) CYP3A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1542980 0.89 CYP3A4 (0.49) CYP3A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1542633 0.88 CYP3A4 (0.46) CYP3A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1542781 0.87 CYP3A4 (0.48) CYP3A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1542483 0.85 CYP3A4 (0.44) CYP3A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1542677 0.85 CYP3A4 (0.44) CYP3A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1543061 0.85 CYP3A4 (0.51) CYP3A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1543057 0.85 CYP3A4 (0.48) CYP3A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1543290 0.84 CYP3A4 (0.47) CYP3A4TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 — — US claimed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 — — EP claimed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 — — EP claimed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 — — WO claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 — — US claimed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 — — US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 — — EP disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 — — EP disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 — — WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 — — US 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B CYP3A4 528/4885TUBB4A 1164/4885TUBB 1243/4885

“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.