SCHEMBL6239139

SCHEMBL6239139

COc1ccc2c(c1NCc1ccccc1)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.74
TUBB4A P04350 5/20 0.74
TUBB P07437 5/20 0.74
TUBB4B P68371 5/20 0.74
TUBB3 Q13509 5/20 0.74
TUBB2A Q13885 5/20 0.74
TUBB8 Q3ZCM7 5/20 0.74
TUBB6 Q9BUF5 5/20 0.74
TUBB2B Q9BVA1 5/20 0.74
TUBB1 Q9H4B7 5/20 0.74
TUBA3C P0DPH7 4/20 0.74
TUBA1B P68363 4/20 0.74
TUBA4A P68366 4/20 0.74
TUBA3E Q6PEY2 4/20 0.74
TUBA1A Q71U36 4/20 0.74
TUBA1C Q9BQE3 4/20 0.74
CYP2C9 P11712 4/20 0.74
CYP2C19 P33261 4/20 0.74
TUBB8B A6NNZ2 2/20 0.74
ABCB11 O95342 2/20 0.74

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
SCHEMBL15658846 0.86 CYP3A4 (0.74) CYP3A4TUBB4ATUBBTUBB4BTUBB3
SCHEMBL15658844 0.86 CYP3A4 (0.74) CYP3A4TUBB4ATUBBTUBB4BTUBB3
Noscapine SCHEMBL4559 0.86 CYP3A4 (1.00) CYP3A4TUBB4ATUBBTUBB4BTUBB3
Noscapine SCHEMBL29365828 0.86 CYP3A4 (1.00) CYP3A4TUBB4ATUBBTUBB4BTUBB3
Noscapine SCHEMBL7862895 0.86 CYP3A4 (1.00) CYP3A4TUBB4ATUBBTUBB4BTUBB3
Noscapine SCHEMBL10307295 0.86 CYP3A4 (1.00) CYP3A4TUBB4ATUBBTUBB4BTUBB3
Noscapine SCHEMBL2494164 0.86 CYP3A4 (1.00) CYP3A4TUBB4ATUBBTUBB4BTUBB3
Noscapine SCHEMBL14400084 0.86 CYP3A4 (1.00) CYP3A4TUBB4ATUBBTUBB4BTUBB3
Noscapine SCHEMBL12481369 0.86 CYP3A4 (1.00) CYP3A4TUBB4ATUBBTUBB4BTUBB3
Noscapine SCHEMBL14386820 0.86 CYP3A4 (1.00) CYP3A4TUBB4ATUBBTUBB4BTUBB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005020911-A2 BENZO[1, 3]DIOXOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESSES OF MAKING AND USING THE SAME ATHERSYS, INC. (US) 2005-03-10 WO disclosed
US-20050049278-A1 Benzo[1,3]dioxole compounds, pharmaceutical compositions thereof, and processes of making and using the same ATHERSYS, INC. 2005-03-03 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-20050049278-A1 Benzo[1,3]dioxole compounds, pharmaceutical compositions thereof, and processes of making and using the same CYP4X1, BBOX1, CYP1B1 CYP3A4 45/4885TUBB4A 3893/4885TUBB 4336/4885

“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.