SCHEMBL838162

SCHEMBL838162

COc1ccccc1-n1ncc2cc(Br)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.51
MAPK14 Q16539 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
UGCG Q16739 1/20 0.40
MAOB P27338 1/20 0.40
ADRA2B P18089 1/20 0.40
SLC2A1 P11166 2/20 0.39
SLC2A2 P11168 2/20 0.39
SLC2A3 P11169 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL28018824 0.82 SMO (0.48) SMOMAPK14CYP11B1CYP11B2UGCG
SCHEMBL27228773 0.75 HDAC8 (0.41) SMOCYP11B1CYP11B2IRAK4LMNA
SCHEMBL837601 0.75 SMO (0.51) SMOCYP11B1CYP11B2IRAK4ALDH1A1
SCHEMBL26982964 0.75 HDAC8 (0.39) SMOCYP11B1CYP11B2IRAK4LMNA
SCHEMBL25340971 0.75 CYP11B2 (0.47) MAPK14CYP11B1CYP11B2MAOBALDH1A1
SCHEMBL837429 0.74 CYP11B1 (0.52) SMOCYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL839102 0.74 NR3C1 (0.54) SMOCYP11B2ALDH1A1LMNAMAPT
SCHEMBL27075091 0.74 CYP11B2 (0.46) MAPK14CYP11B1CYP11B2MAOBALDH1A1
SCHEMBL4719786 0.71 KDR (0.59) MAPK14MAPTKDM4ECYP1A2
SCHEMBL6662746 0.70 CYP11B2 (0.39) SMOCYP11B1CYP11B2IRAK4NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883786-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2014-11-11 US disclosed
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 US disclosed
US-8143280-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 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-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R SMO 4450/4885MAPK14 1812/4885CYP11B1 25/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R SMO 4450/4885MAPK14 1812/4885CYP11B1 25/4885

“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.