SCHEMBL4848966

SCHEMBL4848966

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 4/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX12 P18054 1/20 0.42
PYGL P06737 1/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
KCNMA1 Q12791 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4852986 0.84 ABL1 (0.48) MAPTKMT2AMEN1KDM4EPYGL
SCHEMBL4857987 0.83 G6PD (0.47) G6PDCRHBPCRHR2TDP1MAPT
SCHEMBL4859717 0.83 G6PD (0.49) G6PDCRHBPCRHR2TDP1MAPT
SCHEMBL4852874 0.83 TDP1 (0.43) G6PDCRHBPCRHR2TDP1MAPT
SCHEMBL4856000 0.81 G6PD (0.47) G6PDCRHBPCRHR2TDP1MAPT
SCHEMBL6827988 0.79 PDGFRB (0.48) G6PDCRHBPCRHR2TDP1MAPT
SCHEMBL4859934 0.77 TDP1 (0.44) G6PDCRHBPCRHR2TDP1MAPT
SCHEMBL4847691 0.77 AKR1C3 (0.60) TDP1MAPTKMT2ALMNAMEN1
SCHEMBL1291085 0.76 LMNA (0.50) TDP1MAPTKMT2ALMNAMEN1
SCHEMBL4856494 0.75 NPSR1 (0.43) MAPTKMT2ALMNAMEN1HTT

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
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
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 G6PD 580/4885CRHBP 4278/4885CRHR2 4628/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 G6PD 625/4885CRHBP 4080/4885CRHR2 4563/4885

“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.