SCHEMBL4856494

SCHEMBL4856494

COC(=O)C(C)(C)c1cc(NC(C)=O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 4/20 0.41
ABCB1 P08183 2/20 0.41
ABCC1 P33527 2/20 0.41
HTT P42858 2/20 0.41
EPHX1 P07099 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GALR2 O43603 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
XBP1 P17861 1/20 0.41
CCR6 P51684 1/20 0.41
MEN1 O00255 2/20 0.40
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL7750660 0.85 MAPT (0.45) NPSR1MAPTKMT2AALDH1A1ABCB1
SCHEMBL9396485 0.82 MAPT (0.52) NPSR1MAPTKMT2AALDH1A1ABCB1
SCHEMBL28664013 0.81 MAPT (0.51) NPSR1MAPTKMT2AALDH1A1ABCB1
SCHEMBL4854803 0.81 NPSR1 (0.45) NPSR1MAPTKMT2AALDH1A1HTT
SCHEMBL5953169 0.79 KMT2A (0.50) NPSR1MAPTKMT2AALDH1A1HTT
SCHEMBL13811009 0.79 NPSR1 (0.49) NPSR1MAPTKMT2AALDH1A1ABCB1
SCHEMBL18306153 0.78 MAPT (0.48) NPSR1MAPTKMT2AALDH1A1ABCB1
SCHEMBL29447084 0.78 MAPT (0.49) NPSR1MAPTKMT2AALDH1A1ABCB1
SCHEMBL4346832 0.78 MAPT (0.49) NPSR1MAPTKMT2AALDH1A1ABCB1
SCHEMBL1646147 0.78 MAPT (0.48) NPSR1MAPTKMT2AALDH1A1ABCB1

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 NPSR1 3952/4885MAPT 4057/4885KMT2A 1398/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 NPSR1 4065/4885MAPT 3753/4885KMT2A 1376/4885

“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.