SCHEMBL3842764

SCHEMBL3842764

COc1ccc(C(O)C(F)(Br)Br)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 3/20 0.47
GRM4 Q14833 3/20 0.47
GRM6 O15303 2/20 0.47
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
ALDH1A1 P00352 8/20 0.44
TDP1 Q9NUW8 2/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 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
SCHEMBL3970948 0.84 ALDH1A1 (0.45) GRM8GRM4GRM6GRIN2DGRIN3B
SCHEMBL14380435 0.81 ALDH1A1 (0.47) GRM8GRM4GRM6GRIN2DGRIN3B
SCHEMBL29192875 0.81 GRM8 (0.52) GRM8GRM4GRM6GRIN2DGRIN3B
SCHEMBL31584827 0.79 ALDH1A1 (0.51) GRM8GRM4GRM6GRIN2DGRIN3B
SCHEMBL4821154 0.78 GRIN2D (0.51) GRM8GRM4GRM6GRIN2DGRIN3B
SCHEMBL27085813 0.78 ALDH1A1 (0.50) GRM8GRM4GRM6GRIN2DGRIN3B
SCHEMBL12089924 0.77 ALDH1A1 (0.53) GRM8GRM4GRM6GRIN2DGRIN3B
SCHEMBL31347515 0.76 ALDH1A1 (0.51) GRM8GRM4GRM6GRIN2DGRIN3B
SCHEMBL8398394 0.76 GRM8 (0.63) GRM8GRM4GRM6GRIN2DGRIN3B
SCHEMBL10415980 0.76 GRM8 (0.48) GRM8GRM4GRM6GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2112990-A2 FLUOROCOMBRETASTATIN AND DERIVATIVES THEREOF Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-11-04 EP disclosed
US-7572778-B2 recognize and bind the tubulin site: antitubulin; useful for treating pathological states which arise from or are exacerbated by cell proliferation as anticancer and/or antiangiogenic activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-08-11 US disclosed
US-20060160778-A1 recognize and bind the tubulin site: antitubulin; useful for treating pathological states which arise from or are exacerbated by cell proliferation as anticancer and/or antiangiogenic activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-07-20 US disclosed
WO-2005007603-A2 FLUOROCOMBRETASTATIN AND DERIVATIVES THEREOF SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2005-01-27 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 (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-20060160778-A1 recognize and bind the tubulin site: antitubulin; useful for treating pathological states which arise from or are exacerbated by cell proliferation as anticancer and/or antiangiogenic activity TUBB, TUBB1, TUBB6 GRM8 4757/4885GRM4 4166/4885GRM6 4091/4885

“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.