SCHEMBL5557944

SCHEMBL5557944

O=C(Nc1ccccc1)C(=O)c1cn(Cc2ccc(F)cc2)c2c1ccc[n+]2[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
POLB P06746 2/20 0.43

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
SCHEMBL1862476 0.85 PDE4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1864877 0.84 PDE4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3851419 0.79 TUBB4A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28516015 0.78 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5756727 0.77 PDE4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3151543 0.74 TUBB4A (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1864760 0.74 MEN1 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL4920187 0.73 TUBB4A (0.81) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29649082 0.73 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3850545 0.73 TUBB4A (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161671-A1 7-Azaindoles and the use thereof as therapeutic agents BIOTIE THERAPIES GMBH (DE) 2007-07-12 US claimed
JP-2006524209-A 2006-10-26 JP claimed
EP-1613627-A1 7-AZAINDOLES AND USE THEREOF AS THERAPEUTIC AGENTS Elbion AG (DE) 2006-01-11 EP claimed
US-20040224971-A1 7-azaindoles and the use thereof as therapeutic agents BIOTIE THERAPIES GMBH (DE) 2004-11-11 US claimed
WO-2004094416-A1 7-AZAINDOLES AND USE THEREOF AS THERAPEUTIC AGENTS ELBION AG (DE) 2004-11-04 WO claimed

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-20040224971-A1 7-azaindoles and the use thereof as therapeutic agents PDE4B, PDE4A, PDE4D TUBB4A 1320/4885TUBB 2879/4885TUBA3C 3195/4885
US-20070161671-A1 7-Azaindoles and the use thereof as therapeutic agents PDE4B, PDE4A, PDE4D TUBB4A 1320/4885TUBB 2879/4885TUBA3C 3195/4885

“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.