SCHEMBL4855503

SCHEMBL4855503

Nc1cc(N2CCC[C@H]2CO)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
MAPT P10636 11/20 0.52
RECQL P46063 1/20 0.52
SIRT6 Q8N6T7 1/20 0.49
CUL4A Q13619 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.41
HTR7 P34969 1/20 0.40
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6212116 1.00 LMNA (0.56) LMNAMAPTRECQLSIRT6CUL4A
SCHEMBL27262497 0.86 MAPT (0.50) LMNAMAPTSIRT6CUL4AALDH1A1
SCHEMBL9300689 0.86 HPGD (0.56) LMNAMAPTCUL4AALDH1A1TSHR
SCHEMBL5653496 0.82 SIRT6 (0.52) LMNAMAPTSIRT6TSHRRAB9A
SCHEMBL5653501 0.82 SIRT6 (0.52) LMNAMAPTSIRT6TSHRRAB9A
SCHEMBL9899724 0.81 MAPT (0.57) LMNAMAPTRECQLCUL4AALDH1A1
SCHEMBL9899723 0.81 MAPT (0.57) LMNAMAPTRECQLCUL4AALDH1A1
SCHEMBL14367274 0.79 SIRT6 (0.51) LMNAMAPTSIRT6CUL4AALDH1A1
SCHEMBL223024 0.79 MAPT (0.47) MAPTSIRT6CUL4AALDH1A1MAPK1
SCHEMBL1092846 0.79 MAPT (0.47) MAPTSIRT6CUL4AALDH1A1MAPK1

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 LMNA 2735/4885MAPT 4057/4885RECQL 1812/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 LMNA 2659/4885MAPT 3753/4885RECQL 1405/4885

“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.