SCHEMBL6715844

SCHEMBL6715844

COc1ccc([N+](=O)[O-])cc1NC(=O)NC(C(=O)Nc1ccc(C)c(C)c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
LMNA P02545 4/20 0.60
POLB P06746 2/20 0.60
MAPK1 P28482 2/20 0.60
MAPT P10636 8/20 0.58
BLM P54132 1/20 0.58
HPGD P15428 2/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
TP53 P04637 2/20 0.55
ALDH1A1 P00352 6/20 0.52
HTT P42858 1/20 0.51
KCNMA1 Q12791 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47

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
SCHEMBL6726360 1.00 MEN1 (0.60) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL6722817 0.92 MEN1 (0.60) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL6726581 0.92 MEN1 (0.60) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL6715520 0.91 MEN1 (0.69) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL6726961 0.91 MEN1 (0.66) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL6719353 0.91 MEN1 (0.66) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL6719654 0.91 MEN1 (0.66) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL6726293 0.90 MEN1 (0.55) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL6719557 0.90 KMT2A (0.67) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL6719660 0.89 KMT2A (0.60) MEN1KMT2ALMNAPOLBMAPK1

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
US-20170173009-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. 2017-06-22 US disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 US disclosed
US-20120040947-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-02-16 US disclosed
US-20100273739-A1 Aminotetraline Derivatives, Pharmaceutical Composition, Containing Them, and Their Use in Therapy ABBVIE INC. 2010-10-28 US disclosed
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 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 (4 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-20120040947-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC10A1, SUGT1, SLC10A2 MEN1 1241/4885KMT2A 2809/4885LMNA 3508/4885
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors SLC1A2, SLC1A1, SLC7A11 MEN1 2822/4885KMT2A 1656/4885LMNA 3809/4885
US-20100273739-A1 Aminotetraline Derivatives, Pharmaceutical Composition, Containing Them, and Their Use in Therapy AADAT, GFPT1, BCAT1 MEN1 1994/4885KMT2A 959/4885LMNA 3361/4885
US-20170173009-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy SLC7A1, BCAT1, AADAT MEN1 1196/4885KMT2A 475/4885LMNA 3342/4885

“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.