SCHEMBL4859934

SCHEMBL4859934

COC(=O)c1ccc(Cl)cc1Nc1cc(Br)c(OC(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
G6PD P11413 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX12 P18054 1/20 0.38
KCNMA1 Q12791 3/20 0.38
ABL1 P00519 1/20 0.38
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
CNR2 P34972 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL4857987 0.89 G6PD (0.47) TDP1G6PDCRHBPCRHR2MAPT
SCHEMBL4856000 0.84 G6PD (0.47) TDP1G6PDCRHBPCRHR2MAPT
SCHEMBL4857413 0.84 TDP1 (0.45) TDP1G6PDCRHBPCRHR2MAPT
SCHEMBL4855661 0.80 PKM (0.49) TDP1G6PDCRHBPCRHR2MAPT
SCHEMBL4859717 0.80 G6PD (0.49) TDP1G6PDCRHBPCRHR2MAPT
SCHEMBL4851824 0.79 EPAS1 (0.54) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL24616176 0.78 POLB (0.41) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL4848966 0.77 G6PD (0.43) TDP1G6PDCRHBPCRHR2MAPT
SCHEMBL1291085 0.76 LMNA (0.50) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL6827988 0.76 PDGFRB (0.48) TDP1G6PDCRHBPCRHR2MAPT

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 7 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
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US 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 (2 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 TDP1 1112/4885G6PD 580/4885CRHBP 4278/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 TDP1 1384/4885G6PD 625/4885CRHBP 4080/4885

“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.