SCHEMBL4857413

SCHEMBL4857413

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX12 P18054 1/20 0.41
ABL1 P00519 1/20 0.41
KCNMA1 Q12791 1/20 0.41
ALDH1A1 P00352 2/20 0.41
G6PD P11413 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40

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) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL4856000 0.87 G6PD (0.47) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL4859934 0.84 TDP1 (0.44) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL4855661 0.84 PKM (0.49) TDP1MAPTKDM4EABL1KCNMA1
SCHEMBL4859717 0.82 G6PD (0.49) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL4847961 0.81 ABL1 (0.55) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL1291085 0.81 LMNA (0.50) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL4847691 0.80 AKR1C3 (0.60) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL4854996 0.80 TDP1 (0.49) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL4858054 0.79 TDP1 (0.44) TDP1MAPTKMT2ALMNAABL1

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 10 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
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-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US 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
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US 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 1112/4885MAPT 4057/4885MEN1 1677/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 TDP1 1384/4885MAPT 3753/4885MEN1 2238/4885

“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.