SCHEMBL4855842

SCHEMBL4855842

CC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
EPHX2 P34913 2/20 0.54
RECQL P46063 1/20 0.51
RORC P51449 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL29362736 0.88 ALDH1A1 (0.51) ALDH1A1EPHX2RECQLRORCL3MBTL1
SCHEMBL14744283 0.88 ALDH1A1 (0.51) ALDH1A1EPHX2RECQLRORCL3MBTL1
SCHEMBL9447611 0.87 ALDH1A1 (0.73) ALDH1A1EPHX2RECQLRORCL3MBTL1
SCHEMBL6160971 0.86 EPHX2 (0.55) ALDH1A1EPHX2LMNACYP1A2CYP2C9
SCHEMBL5804037 0.86 CYP1A2 (0.59) EPHX2L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL28526013 0.86 TDP1 (0.58) ALDH1A1EPHX2RECQLL3MBTL1CYP1A2
SCHEMBL23419127 0.83 EPHX2 (0.77) ALDH1A1EPHX2RECQLRORCL3MBTL1
SCHEMBL21649325 0.83 ALDH1A1 (0.56) ALDH1A1EPHX2RECQLRORCL3MBTL1
SCHEMBL2347463 0.83 EPHX2 (0.49) ALDH1A1EPHX2CYP1A2CYP2C9CYP2C19
SCHEMBL28526011 0.82 EPHX2 (0.48) ALDH1A1EPHX2LMNACYP1A2CYP2C9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 ALDH1A1 3257/4885EPHX2 2464/4885RECQL 1405/4885

“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.