SCHEMBL837553

SCHEMBL837553

Cc1cc(C(=O)Cc2ccc(O)cc2Cl)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
P2RX7 Q99572 3/20 0.38
KDM4C Q9H3R0 3/20 0.37
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ANO1 Q5XXA6 1/20 0.35
RORA P35398 1/20 0.35
NR2E1 Q9Y466 1/20 0.35
SORT1 Q99523 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
SHBG P04278 1/20 0.34
CAMK2A Q9UQM7 1/20 0.34
JAK2 O60674 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL479898 0.83 DYRK1A (0.40) P2RX7KDM4CKDM4AKDM5AKDM2B
SCHEMBL27809654 0.73 CYP3A4 (0.44) SMARCA2SMARCA4P2RX7L3MBTL1ANO1
SCHEMBL480063 0.71 TDP1 (0.41) P2RX7L3MBTL1RAB9ANPC1JAK2
SCHEMBL362870 0.71 UHRF1 (0.43) SMARCA2SMARCA4L3MBTL1RAB9ANPC1
SCHEMBL28065665 0.71 HSD17B10 (0.45) P2RX7CAMK2A
SCHEMBL839299 0.71 GRM1 (0.50) KDM4CKDM5AL3MBTL1RAB9ANPC1
SCHEMBL29740180 0.70 GSK3B (0.50) SMARCA2SMARCA4
SCHEMBL1884527 0.70 GSK3B (0.50) SMARCA2SMARCA4
SCHEMBL12672263 0.70 UHRF1 (0.42) SMARCA2SMARCA4KDM4CKDM4AKDM5A
SCHEMBL29740179 0.70 GSK3B (0.50) SMARCA2SMARCA4

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 7 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
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 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-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R SMARCA2 2928/4885SMARCA4 3538/4885P2RX7 990/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R SMARCA2 2928/4885SMARCA4 3538/4885P2RX7 990/4885

“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.