SCHEMBL3979138

SCHEMBL3979138

CN(Cc1ccc(-c2ccc(OCc3nnn[nH]3)c(Br)c2)cc1)C(=O)c1cn(C)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.42
ABCG2 Q9UNQ0 2/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HTR2C P28335 1/20 0.36
HTT P42858 1/20 0.36
ROCK2 O75116 3/20 0.35
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
SYK P43405 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33

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
SCHEMBL3977499 0.92 HDAC1 (0.44) ROCK1HDAC1HDAC6ROCK2POLB
SCHEMBL3973520 0.89 HDAC1 (0.41) ROCK1HDAC1HDAC6HTTROCK2
SCHEMBL3978851 0.84 ROCK1 (0.42) ROCK1ABCG2HDAC1HDAC6HTR2C
SCHEMBL3974024 0.83 HTT (0.53) ROCK1ABCG2HDAC1HDAC6HTT
SCHEMBL3973614 0.79 ROCK1 (0.45) ROCK1HDAC1HDAC6HPGDPOLB
SCHEMBL3978173 0.77 TTR (0.42) HTR2CHTT
SCHEMBL4783722 0.75 NCEH1 (0.40) ABCG2HPGDMAPT
SCHEMBL3978836 0.75 HDAC1 (0.47) ROCK1HDAC1HDAC6ROCK2POLB
SCHEMBL3973569 0.74 HDAC1 (0.51) ROCK1HDAC1HDAC6HTTROCK2
SCHEMBL3972466 0.73 HDAC1 (0.44) HDAC1HDAC6HTTHPGDPOLB

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-20060020003-A1 Biphenyloxy-acids WYETH (US) 2006-01-26 US claimed
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 ROCK1 4189/4885ABCG2 748/4885HDAC1 1929/4885

“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.