SCHEMBL838159

SCHEMBL838159

O=C(c1cccnc1)C(Cn1cncn1)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
PKM P14618 3/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 1/20 0.41
IDO1 P14902 1/20 0.40
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADRA2C P18825 1/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
KCNMA1 Q12791 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
SCHEMBL27905534 0.82 LMNA (0.47) LMNAALDH1A1PKMKMT2AHTT
SCHEMBL9877648 0.80 ALDH1A1 (0.48) LMNAALDH1A1PKMKDM4ERAB9A
SCHEMBL10888136 0.79 KMT2A (0.53) LMNAALDH1A1RAB9AKMT2AHTT
SCHEMBL6204706 0.78 NPC1 (0.46) LMNAALDH1A1PKMKDM4ERAB9A
SCHEMBL9878025 0.78 ALDH1A1 (0.46) LMNAALDH1A1PKMKDM4ERAB9A
SCHEMBL6202785 0.77 NPC1 (0.46) LMNAALDH1A1PKMKDM4ERAB9A
SCHEMBL11094694 0.77 ALDH1A1 (0.48) LMNAALDH1A1PKMKDM4ERAB9A
SCHEMBL11094696 0.77 ALDH1A1 (0.48) LMNAALDH1A1PKMKDM4ERAB9A
SCHEMBL9877329 0.77 ALDH1A1 (0.46) LMNAALDH1A1PKMKDM4ERAB9A
SCHEMBL10448844 0.77 ALDH1A1 (0.48) LMNAALDH1A1PKMKDM4ERAB9A

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 LMNA 2031/4885ALDH1A1 1082/4885PKM 2829/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R LMNA 2031/4885ALDH1A1 1082/4885PKM 2829/4885

“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.