SCHEMBL4534553

SCHEMBL4534553

FC(F)(F)c1cccc(/C=C/c2ccnc(Br)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.54
FBP1 P09467 1/20 0.48
P4HB P07237 2/20 0.47
HDAC1 Q13547 2/20 0.46
KDM1A O60341 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
DYRK1A Q13627 1/20 0.45
DYRK2 Q92630 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL4534554 1.00 NFE2L2 (0.54) NFE2L2FBP1P4HBHDAC1KDM1A
SCHEMBL4537505 0.81 NOS3 (0.59) NFE2L2FBP1P4HBDYRK1ADYRK2
SCHEMBL4537508 0.81 NOS3 (0.59) NFE2L2FBP1P4HBDYRK1ADYRK2
SCHEMBL4539227 0.78 HDAC6 (0.58) NFE2L2HDAC1KDM1AHDAC6MEN1
SCHEMBL4539224 0.78 HDAC6 (0.58) NFE2L2HDAC1KDM1AHDAC6MEN1
SCHEMBL13790316 0.77 NFE2L2 (0.82) NFE2L2FBP1P4HBCHRNB2CHRNB4
SCHEMBL30632931 0.76 NFE2L2 (0.51) NFE2L2FBP1P4HBDYRK1ADYRK2
SCHEMBL5496405 0.76 NFE2L2 (0.73) NFE2L2FBP1P4HBCHRNB2CHRNB4
SCHEMBL3904046 0.76 NFE2L2 (0.73) NFE2L2FBP1P4HBCHRNB2CHRNB4
SCHEMBL29386797 0.75 NOS3 (0.57) NPSR1L3MBTL1MAOB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722709-B2 Mineralocorticoid receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-13 US disclosed
US-8722709-B2 Mineralocorticoid receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-13 US disclosed
EP-2638012-A1 PYRIDYL UREAS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2013-09-18 EP disclosed
US-20120289551-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-11-15 US disclosed
US-20120289551-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-11-15 US disclosed
WO-2012064631-A1 PYRIDYL UREAS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-18 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 (1 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-20120289551-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS NR3C2, MC2R, AVPR2 NFE2L2 2164/4885FBP1 1624/4885P4HB 2857/4885

“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.