SCHEMBL3971810

SCHEMBL3971810

CN(Cc1ccc(-c2ccc(O)c(Br)c2)cc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC2 Q92769 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
SERPINE1 P05121 2/20 0.47
MAPK1 P28482 1/20 0.47
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 3/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
ADORA1 P30542 1/20 0.45
HSP90AA1 P07900 1/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 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
SCHEMBL3973124 0.88 HTT (0.54) HDAC1HDAC6HDAC2L3MBTL1SERPINE1
SCHEMBL3973614 0.86 ROCK1 (0.45) HDAC1HDAC6HPGDALDH1A1NPSR1
SCHEMBL3972466 0.84 HDAC1 (0.44) HDAC1HDAC6HDAC2L3MBTL1SERPINE1
SCHEMBL3973520 0.80 HDAC1 (0.41) HDAC1HDAC6HDAC2L3MBTL1SERPINE1
SCHEMBL3978498 0.80 HDAC1 (0.54) HDAC1HDAC6ALDH1A1NPSR1MAPT
SCHEMBL3974024 0.74 HTT (0.53) HDAC1HDAC6HPGDGAAMAPT
SCHEMBL1640360 0.72 HSP90AA1 (0.60) HPGDALDH1A1MEN1GAAMAPT
SCHEMBL3978851 0.70 ROCK1 (0.42) HDAC1HDAC6HPGDALDH1A1NPSR1
SCHEMBL28222415 0.68 LMNA (0.68) L3MBTL1MAPK1NPSR1CNR1CNR2
SCHEMBL5990098 0.68 L3MBTL1 (0.59) HDAC1HDAC6L3MBTL1SERPINE1MAPK1

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 1682/4885HDAC2 1462/4885

“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.