SCHEMBL3972358

SCHEMBL3972358

COc1ccc(-c2ccc(CNCc3ccccc3)cc2)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
HTR2A P28223 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.54
PKM P14618 1/20 0.54
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
KMT2A Q03164 4/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 3/20 0.48
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
OPRK1 P41145 1/20 0.45

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
SCHEMBL3978937 0.83 MAPT (0.50) MAPTHTR2AL3MBTL1PKMKDM4E
SCHEMBL3924409 0.82 MAPT (0.57) MAPTL3MBTL1KDM4EALDH1A1TDP1
Water SCHEMBL8845490 0.81 MAPT (0.56) MAPTL3MBTL1KDM4EALDH1A1TDP1
SCHEMBL16991889 0.80 HTR2A (0.59) MAPTHTR2APKMKDM4EALDH1A1
SCHEMBL3042373 0.78 LMNA (0.69) MAPTL3MBTL1KDM4EALDH1A1TDP1
Ether SCHEMBL8845483 0.77 MAPT (0.50) MAPTL3MBTL1PKMKDM4EALDH1A1
SCHEMBL29697785 0.77 MAPT (0.56) MAPTKDM4EALDH1A1TDP1KMT2A
SCHEMBL12326165 0.77 MAPT (0.56) MAPTKDM4EALDH1A1TDP1KMT2A
SCHEMBL3894418 0.74 MAPT (0.62) MAPTL3MBTL1PKMKDM4EALDH1A1
SCHEMBL3970664 0.74 SMN1; SMN2 (0.45) MAPTL3MBTL1PKMALDH1A1KMT2A

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 MAPT 4702/4885HTR2A 402/4885L3MBTL1 1585/4885

“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.