SCHEMBL4850772

SCHEMBL4850772

COc1cc([N+](=O)[O-])c(NC(C)=O)cc1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.44
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL4850761 1.00 KMT2A (0.45) KMT2ASMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL5951870 0.88 KMT2A (0.51) KMT2ASMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL9396485 0.83 MAPT (0.52) KMT2ASMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL28664013 0.82 MAPT (0.51) KMT2ASMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL1146111 0.82 RAB9A (0.52) KMT2ASMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL13811009 0.80 NPSR1 (0.49) KMT2ASMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL5953169 0.80 KMT2A (0.50) KMT2ASMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL4346832 0.79 MAPT (0.49) KMT2ASMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL18306153 0.79 MAPT (0.48) KMT2ASMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL1646147 0.79 MAPT (0.48) KMT2ASMN1; SMN2ALDH1A1NPSR1LMNA

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 KMT2A 1398/4885SMN1; SMN2 3469/4885ALDH1A1 2391/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 KMT2A 1376/4885SMN1; SMN2 3562/4885ALDH1A1 3257/4885

“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.