SCHEMBL4848677

SCHEMBL4848677

COC(=O)c1ccc(Cl)cc1Nc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
RECQL P46063 1/20 0.54
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54
PTPN11 Q06124 1/20 0.54
ABL1 P00519 1/20 0.52
TDP1 Q9NUW8 6/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
GFER P55789 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49
KCNMA1 Q12791 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 1/20 0.46
PYGL P06737 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 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
SCHEMBL10628176 0.87 TDP1 (0.59) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL31274312 0.84 MAPT (0.67) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL4854740 0.83 ABL1 (0.60) MAPTABL1KMT2AMEN1KDM4E
SCHEMBL1290704 0.82 KDM4E (0.60) MAPTABL1KMT2AMEN1KDM4E
SCHEMBL4855887 0.81 ABL1 (0.57) MAPTABL1KMT2AMEN1GFER
SCHEMBL4855385 0.80 ABL1 (0.56) MAPTABL1KMT2AMEN1KDM4E
SCHEMBL2722200 0.79 ALDH1A1 (0.66) MAPTRECQLDUSP3PTPN5PTPN11
Hydrochloric Acid SCHEMBL9118764 0.79 MAPT (0.58) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL9820943 0.79 MAPT (0.51) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL4854996 0.79 TDP1 (0.49) MAPTABL1TDP1KMT2AMEN1

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
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 MAPT 4057/4885RECQL 1812/4885DUSP3 608/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 MAPT 3753/4885RECQL 1405/4885DUSP3 525/4885

“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.