SCHEMBL12418838

SCHEMBL12418838

CC(C)(CNC(=O)CF)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.56
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
CHEK1 O14757 1/20 0.38
LIMK1 P53667 1/20 0.38
MAPK14 Q16539 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 4/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL2362549 0.89 NR3C1 (0.60) NR3C1KDM4EALDH1A1MAPTCHEK1
SCHEMBL2364631 0.86 NR3C1 (0.56) NR3C1KDM4EALDH1A1MAPTCHEK1
SCHEMBL2363117 0.80 NR3C1 (0.68) NR3C1KDM4EALDH1A1MAPTCHEK1
SCHEMBL2363820 0.79 NR3C1 (0.56) NR3C1KDM4EALDH1A1MAPTCHEK1
SCHEMBL2364714 0.79 NR3C1 (0.66) NR3C1KDM4EALDH1A1MAPTCHEK1
SCHEMBL13266509 0.79 NR3C1 (0.59) NR3C1KDM4EALDH1A1MAPTCHEK1
SCHEMBL2363402 0.79 NR3C1 (0.67) NR3C1KDM4EALDH1A1MAPTCHEK1
SCHEMBL12417272 0.76 NR3C1 (0.57) NR3C1KDM4EALDH1A1MAPTCHEK1
SCHEMBL12378881 0.75 NR3C1 (0.66) NR3C1KDM4EALDH1A1MAPTCHEK1
SCHEMBL2363102 0.72 NR3C1 (1.00) NR3C1

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 2/4885KDM4E 2418/4885ALDH1A1 3816/4885

“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.