SCHEMBL838131

SCHEMBL838131

COc1ccccc1-n1ncc2cc(C(=O)C(C)c3ccc(Cl)cc3Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.47
MARS1 P56192 2/20 0.41
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41
MAPK14 Q16539 2/20 0.39
SHMT2 P34897 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MAOB P27338 1/20 0.38
MAPK8 P45983 2/20 0.37
MAPK10 P53779 2/20 0.37
TACR3 P29371 1/20 0.37
CRHR1 P34998 1/20 0.37
ADRA2B P18089 1/20 0.36

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
SCHEMBL837357 0.84 HPGD (0.48) SMOHPGDMAOBMAPK8MAPK10
SCHEMBL838738 0.83 HPGD (0.48) SMOSHMT2RAB9AHPGDMAPK8
SCHEMBL838558 0.83 SMO (0.45) SMOMARS1SHMT2RAB9AHPGD
SCHEMBL838977 0.80 SMO (0.43) SMOMARS1SCN5ASCN9AMAPK14
SCHEMBL838615 0.78 NR3C1 (0.43) SMOMARS1SCN5ASCN9A
SCHEMBL838162 0.68 SMO (0.51) SMOMAPK14HPGDMAOBADRA2B
SCHEMBL28018824 0.67 SMO (0.48) SMOSCN5ASCN9AMAPK14RAB9A
SCHEMBL9877764 0.65 ALDH1A1 (0.51) RAB9AHPGDNPC1
SCHEMBL837360 0.65 NR3C1 (0.43) SCN9A
SCHEMBL474525 0.64 SMN1; SMN2 (0.52) HPGD

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 4450/4885MARS1 2554/4885SCN5A 606/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R SMO 4450/4885MARS1 2554/4885SCN5A 606/4885

“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.