SCHEMBL836320

SCHEMBL836320

O=C(Cc1ccc(Cl)cc1Cl)c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
GALR3 O60755 1/20 0.55
NR2F2 P24468 1/20 0.55
TAAR1 Q96RJ0 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
P2RX7 Q99572 3/20 0.49
CASP1 P29466 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL2847244 0.86 MAPT (0.55) L3MBTL1CYP3A4CYP2C9NPC1RAB9A
SCHEMBL5318479 0.83 MAPT (0.57) L3MBTL1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL11099262 0.83 P2RX7 (0.51) L3MBTL1GALR3NR2F2TAAR1P2RX7
SCHEMBL838069 0.82 ALDH1A1 (0.53) L3MBTL1GALR3NR2F2SMN1; SMN2P2RX7
SCHEMBL11000136 0.81 ERCC1 (0.48) L3MBTL1SMN1; SMN2CYP3A4CYP2C9MEN1
SCHEMBL2119177 0.81 MGAM (0.47) GALR3NR2F2P2RX7CYP3A4CYP2C9
SCHEMBL15391205 0.80 LMNA (0.52) CYP3A4CYP2C9MAPT
SCHEMBL31201903 0.80 CYP3A4 (0.53) L3MBTL1SMN1; SMN2P2RX7CYP3A4CYP2C9
SCHEMBL5639026 0.77 GALR3 (0.69) GALR3NR2F2TAAR1SMN1; SMN2P2RX7
SCHEMBL4914396 0.77 RAB9A (0.58) L3MBTL1SMN1; SMN2CYP3A4CYP2C9MEN1

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 10 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
EP-1846389-A1 IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-24 EP disclosed
WO-2006082002-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060173048-A1 Imidazole derivatives F. HOFFMAN-LA ROCHE AG (CH) 2006-08-03 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 (3 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 L3MBTL1 2134/4885GALR3 193/4885NR2F2 397/4885
US-20060173048-A1 Imidazole derivatives GRM2, GRM1, GRIN2C L3MBTL1 3022/4885GALR3 284/4885NR2F2 464/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R L3MBTL1 2134/4885GALR3 193/4885NR2F2 397/4885

“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.