SCHEMBL838746

SCHEMBL838746

Cc1cc(C(=O)C(C#N)c2ccccc2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
ESR2 Q92731 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 1/20 0.40
GPBAR1 Q8TDU6 2/20 0.39
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL29875287 0.83 TRPA1 (0.39) L3MBTL1ESR2HSD17B10SMN1; SMN2MEN1
SCHEMBL19926132 0.83 TRPA1 (0.39) L3MBTL1ESR2HSD17B10SMN1; SMN2MEN1
SCHEMBL19926261 0.83 CTSA (0.43) L3MBTL1ESR2HSD17B10SMN1; SMN2MEN1
SCHEMBL838204 0.80 PSEN1 (0.53) HSD17B10PSEN1PSEN2APH1BNCSTN
SCHEMBL838079 0.79 L3MBTL1 (0.52) L3MBTL1ESR2HSD17B10MEN1KMT2A
SCHEMBL7200938 0.79 TDP1 (0.50) L3MBTL1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL7202862 0.77 L3MBTL1 (0.55) L3MBTL1HSD17B10SMN1; SMN2ALDH1A1MAPK1
SCHEMBL5505530 0.77 L3MBTL1 (0.61) L3MBTL1SMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL7198527 0.73 TDP1 (0.47) L3MBTL1ESR2HSD17B10SMN1; SMN2MEN1
SCHEMBL14519387 0.73 L3MBTL1 (0.49) L3MBTL1ESR2HSD17B10SMN1; SMN2MEN1

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 9 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
CN-101808992-B 1,1,1-trifluoro-2-hydroxy-3-phenylpropane derivatives HOFFMANN LA ROCHE 2012-09-26 CN 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
CN-101808992-A 1,1,1-trifluoro-2-hydroxy-3-phenylpropane derivatives HOFFMANN LA ROCHE 2010-08-18 CN 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 L3MBTL1 2134/4885ESR2 241/4885HSD17B10 325/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R L3MBTL1 2134/4885ESR2 241/4885HSD17B10 325/4885

“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.