SCHEMBL12418846

SCHEMBL12418846

CC(C)(C)C(c1ccccc1)c1ccc2nncn2c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.55
DNMT1 P26358 1/20 0.38
SCN5A Q14524 1/20 0.37
NAMPT P43490 1/20 0.34
MLLT1 Q03111 4/20 0.33
F9 P00740 1/20 0.33
MLLT3 P42568 1/20 0.33
MAOB P27338 1/20 0.32
MAPK14 Q16539 1/20 0.32
NLRP3 Q96P20 1/20 0.31
CYP17A1 P05093 1/20 0.31

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
SCHEMBL2293499 0.85 NR3C1 (0.64) NR3C1NAMPTMLLT1F9MLLT3
SCHEMBL12417949 0.71 NR3C1 (0.39) NR3C1CYP17A1
SCHEMBL5029899 0.71 RIPK1 (0.43) SCN5A
SCHEMBL23686714 0.69 DNMT1 (0.39) NR3C1DNMT1SCN5AMLLT1MLLT3
SCHEMBL21388565 0.69 MLLT1 (0.41) NR3C1DNMT1SCN5AMLLT1MLLT3
SCHEMBL23230446 0.68 DNMT1 (0.41) NR3C1DNMT1SCN5AMLLT1MLLT3
SCHEMBL12418847 0.66 NR3C1 (0.62) NR3C1MAPK14
SCHEMBL9681514 0.64 SLC6A4 (0.37) SCN5A
SCHEMBL30288156 0.64 ESR1 (0.52) NR3C1
SCHEMBL19117766 0.64 TSHR (0.52)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994190-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-20100190820-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-07-29 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 (1 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-20100190820-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NR0B1, NR3C1, NFRKB NR3C1 2/4885DNMT1 2402/4885SCN5A 1663/4885

“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.