SCHEMBL1706860

SCHEMBL1706860

O=C(O)/C=C/c1cnc(N[C@@H]2CCN(CCc3ccc(Br)cc3)C2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.36
BACE1 P56817 1/20 0.36
THRB P10828 1/20 0.36
HRH1 P35367 2/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
LTA4H P09960 4/20 0.35
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 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
SCHEMBL1706862 1.00 SIGMAR1 (0.38) SIGMAR1HDAC1HDAC8HDAC6ACHE
SCHEMBL1707340 0.92 HDAC1 (0.43) SIGMAR1HDAC1HDAC8HDAC6THRB
SCHEMBL1707345 0.92 HDAC1 (0.43) SIGMAR1HDAC1HDAC8HDAC6THRB
SCHEMBL4225925 0.91 SIGMAR1 (0.47) SIGMAR1HDAC1HDAC8HDAC6ADRA1A
SCHEMBL5169737 0.91 SIGMAR1 (0.47) SIGMAR1HDAC1HDAC8HDAC6ADRA1A
SCHEMBL4225920 0.91 SIGMAR1 (0.47) SIGMAR1HDAC1HDAC8HDAC6ADRA1A
Hydrochloric Acid SCHEMBL1707658 0.91 HDAC1 (0.42) SIGMAR1HDAC1HDAC8HDAC6THRB
Hydrochloric Acid SCHEMBL1707660 0.91 HDAC1 (0.42) SIGMAR1HDAC1HDAC8HDAC6THRB
SCHEMBL1707549 0.91 CNR1 (0.41) SIGMAR1CNR1CNR2DRD2
SCHEMBL1707552 0.91 CNR1 (0.41) SIGMAR1CNR1CNR2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981877-B1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-04-18 EP disclosed
US-7750155-B2 Pyrazinyl hydroxyacrylamide compounds having an inhibitory effect on the activity of histone deacetylase ASTELLAS PHARMA INC. (JP) 2010-07-06 US disclosed
US-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLA PHARMA INC. (JP) 2009-02-26 US disclosed
EP-1981877-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2008-10-22 EP disclosed
WO-2007091703-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2007-08-16 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-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC6, HDAC5 SIGMAR1 2656/4885HDAC1 1/4885HDAC8 10/4885

“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.