SCHEMBL3974024

SCHEMBL3974024

COc1ccc(-c2ccc(CN(C)C(=O)c3cn(C)c4ccccc34)cc2)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
ROCK1 Q13464 2/20 0.49
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
GAA P10253 2/20 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
SCHEMBL3973569 0.90 HDAC1 (0.51) HTTROCK1MAPTPOLBTUBB4A
SCHEMBL3978851 0.87 ROCK1 (0.42) HTTROCK1MAPTPOLBTUBB4A
SCHEMBL3973614 0.87 ROCK1 (0.45) ROCK1MAPTPOLBNR4A2HDAC1
SCHEMBL3973124 0.87 HTT (0.54) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3979138 0.83 ROCK1 (0.42) HTTROCK1MAPTPOLBTUBB4A
SCHEMBL3978836 0.78 HDAC1 (0.47) ROCK1MAPTPOLBTUBB4ATUBB
SCHEMBL3978498 0.77 HDAC1 (0.54) ROCK1MAPTPOLBNR4A2HDAC1
SCHEMBL3972466 0.76 HDAC1 (0.44) HTTMAPTPOLBHDAC1HDAC6
SCHEMBL27249469 0.74 LMNA (0.50) HTTROCK1MAPTPOLBNR4A2
SCHEMBL3971810 0.74 HDAC1 (0.50) HTTMAPTPOLBGAAHDAC1

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
US-7534894-B2 Biphenyloxy-acids WYETH (US) 2009-05-19 US disclosed
EP-1667959-A1 BIPHENYLOXY-ACIDS Wyeth (US) 2006-06-14 EP disclosed
US-20060020003-A1 Biphenyloxy-acids WYETH (US) 2006-01-26 US disclosed
WO-2005030702-A1 BIPHENYLOXY-ACIDS WYETH (US) 2005-04-07 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 (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-20060020003-A1 Biphenyloxy-acids AHR, ARNT, NR1H4 HTT 1646/4885ROCK1 4189/4885MAPT 4702/4885

“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.