SCHEMBL4850702

SCHEMBL4850702

COC(=O)c1ccc(Cl)cc1Nc1ccc(CN2CCOCC2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 7/20 0.43
MAPT P10636 7/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 4/20 0.43
KCNJ1 P48048 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
F10 P00742 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL4859721 0.90 SMN1; SMN2 (0.52) LMNASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL4856783 0.85 HCRTR1 (0.53) HCRTR1HCRTR2LMNASMN1; SMN2KMT2A
SCHEMBL7298034 0.84 ALDH1A1 (0.51) CYP2C19HCRTR1HCRTR2LMNASMN1; SMN2
SCHEMBL4856548 0.83 TDP1 (0.46) CYP2C19LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL4858054 0.81 TDP1 (0.44) CYP2C19LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL4855711 0.81 PKM (0.46) CYP2C19LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL2771503 0.80 SMN1; SMN2 (0.53) HCRTR1HCRTR2LMNASMN1; SMN2KMT2A
SCHEMBL27629199 0.80 TDP1 (0.43) CYP2C19LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL4856252 0.79 PKM (0.44) CYP2C19LMNASMN1; SMN2KMT2AMAPT
SCHEMBL13161883 0.77 ALDH1A1 (0.50) HCRTR1HCRTR2LMNASMN1; SMN2KMT2A

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 5 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
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 CYP2C19 2238/4885HCRTR1 4847/4885HCRTR2 4792/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CYP2C19 2655/4885HCRTR1 4859/4885HCRTR2 4747/4885

“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.