SCHEMBL6351464

SCHEMBL6351464

COc1ccc(CSc2cc(OC)c(OC)c(OC)c2)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
TUBB1 Q9H4B7 8/20 0.48
TUBB4A P04350 7/20 0.48
TUBB P07437 7/20 0.48
TUBA3C P0DPH7 7/20 0.48
TUBA1B P68363 7/20 0.48
TUBA4A P68366 7/20 0.48
TUBB4B P68371 7/20 0.48
TUBB3 Q13509 7/20 0.48
TUBB2A Q13885 7/20 0.48
TUBB8 Q3ZCM7 7/20 0.48
TUBA3E Q6PEY2 7/20 0.48
TUBA1A Q71U36 7/20 0.48
TUBA1C Q9BQE3 7/20 0.48
TUBB6 Q9BUF5 7/20 0.48
TUBB2B Q9BVA1 7/20 0.48
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
DHFR P00374 1/20 0.42

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
SCHEMBL6341857 0.80 TUBB1 (0.60) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4967750 0.78 CYP19A1 (0.70) GAATUBB1TUBB4ATUBBTUBA3C
SCHEMBL8530355 0.78 CA2 (0.48) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6343591 0.76 ALDH1A1 (0.59) GAATUBB1TUBB4ATUBBTUBA3C
SCHEMBL17057776 0.76 GAA (0.65) GAATUBB1TUBB4ATUBBTUBA3C
SCHEMBL17057716 0.76 GAA (0.65) GAATUBB1TUBB4ATUBBTUBA3C
SCHEMBL6343808 0.75 GAA (0.54) GAATUBB1TUBB4ATUBBTUBA3C
SCHEMBL31090146 0.73 GAA (0.77) GAATUBB1TUBB4ATUBBTUBA3C
SCHEMBL6865547 0.73 GAA (1.00) GAATUBB1TUBB4ATUBBTUBA3C
SCHEMBL357294 0.71 GAA (0.74) GAACYP19A1ALDH1A1CYP3A4MEN1

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-20050187246-A1 Cell proliferation inhibitors LI QUN (US) 2005-08-25 US claimed
US-20030096856-A1 Cell proliferation inhibitors ABBVIE INC. 2003-05-22 US claimed
EP-1181269-A1 CELL PROLIFERATION INHIBITORS ABBOTT LABORATORIES (US) 2002-02-27 EP claimed
WO-2000073264-A1 CELL PROLIFERATION INHIBITORS ABBOTT LABORATORIES (US) 2000-12-07 WO claimed
US-20050187246-A1 Cell proliferation inhibitors LI QUN (US) 2005-08-25 US disclosed
US-6924304-B2 Cell proliferation inhibitors ABBOTT LABORATORIES (US) 2005-08-02 US disclosed
US-20030096856-A1 Cell proliferation inhibitors ABBVIE INC. 2003-05-22 US disclosed
US-6521658-B1 Cell proliferation inhibitors ABBOTT LABORATORIES 2003-02-18 US disclosed
EP-1181269-A1 CELL PROLIFERATION INHIBITORS ABBOTT LABORATORIES (US) 2002-02-27 EP disclosed
WO-2000073264-A1 CELL PROLIFERATION INHIBITORS ABBOTT LABORATORIES (US) 2000-12-07 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-20030096856-A1 Cell proliferation inhibitors MKI67, CCNI, CCNA1 GAA 679/4885TUBB1 102/4885TUBB4A 299/4885
US-20050187246-A1 Cell proliferation inhibitors MKI67, CCNI, CCNC GAA 522/4885TUBB1 123/4885TUBB4A 259/4885

“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.