SCHEMBL3978836

SCHEMBL3978836

Cn1cc(C(=O)N(Cc2ccccc2)Cc2ccc(-c3ccc(OCC#N)c(Br)c3)cc2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
LMNA P02545 1/20 0.40
NR4A2 P43354 2/20 0.38
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
PTPN1 P18031 1/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35

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
SCHEMBL3978851 0.91 ROCK1 (0.42) HDAC1HDAC6LMNANR4A2ROCK1
SCHEMBL3973569 0.88 HDAC1 (0.51) HDAC1HDAC6LMNANR4A2ROCK2
SCHEMBL3977499 0.84 HDAC1 (0.44) HDAC1HDAC6LMNANR4A2ROCK2
SCHEMBL3978498 0.83 HDAC1 (0.54) HDAC1HDAC6LMNANR4A2ROCK2
SCHEMBL3972466 0.83 HDAC1 (0.44) HDAC1HDAC6LMNAPOLBMAPT
SCHEMBL3974024 0.78 HTT (0.53) HDAC1HDAC6LMNANR4A2ROCK2
SCHEMBL3979138 0.75 ROCK1 (0.42) HDAC1HDAC6NR4A2ROCK2ROCK1
SCHEMBL3975316 0.75 TTR (0.45) PTPN1
SCHEMBL3973614 0.72 ROCK1 (0.45) HDAC1HDAC6LMNANR4A2ROCK1
SCHEMBL3973124 0.70 HTT (0.54) HDAC1HDAC6TUBB4ATUBBTUBA3C

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 HDAC1 1929/4885HDAC6 1682/4885LMNA 1485/4885

“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.