SCHEMBL949565

SCHEMBL949565

CN(C)C=CC(=O)c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.68
RAB9A P51151 5/20 0.68
LMNA P02545 5/20 0.68
HPGD P15428 4/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2C19 P33261 2/20 0.68
RECQL P46063 2/20 0.68
ALOX12 P18054 1/20 0.68
ALDH1A1 P00352 10/20 0.64
HTT P42858 3/20 0.62
NPC1 O15118 3/20 0.60
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 4/20 0.58
POLB P06746 3/20 0.58
MEN1 O00255 1/20 0.58
HSP90AA1 P07900 1/20 0.58
GAA P10253 3/20 0.57

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
SCHEMBL949564 1.00 MAPT (0.68) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL23251385 0.90 MAPT (0.81) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL4894896 0.82 RECQL (0.75) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL12914243 0.82 MAPT (0.70) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL29176328 0.82 MAPT (0.70) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL4894903 0.82 RECQL (0.75) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL7364598 0.82 MAPT (0.70) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL1186588 0.82 MAPT (0.70) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL801273 0.82 MAPT (0.70) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL1186589 0.82 MAPT (0.70) MAPTRAB9ALMNAHPGDCYP1A2

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-8304539-B2 Fused heteroaryl modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 US disclosed
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
EP-2049507-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-04-22 EP disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 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 (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-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 MAPT 3237/4885RAB9A 1324/4885LMNA 3015/4885
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF NFKB2, NFKBIA, AP1G1 MAPT 3515/4885RAB9A 3015/4885LMNA 3225/4885

“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.