SCHEMBL1708336

SCHEMBL1708336

O=C(O)C=Cc1cnc(N[C@@H]2CCCN(CCCc3ccccc3)C2)cn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.51
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 2/20 0.48
SIGMAR1 Q99720 1/20 0.43
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
ALDH1A1 P00352 1/20 0.42
BLM P54132 1/20 0.42
CCR2 P41597 1/20 0.42
KCNH2 Q12809 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL1708335 1.00 KAT2B (0.51) KAT2BKDM4EKMT2ASIGMAR1CHRNB2
SCHEMBL4229392 0.95 KAT2B (0.45) KAT2BKDM4EKMT2ASIGMAR1
SCHEMBL4229385 0.95 KAT2B (0.45) KAT2BKDM4EKMT2ASIGMAR1
SCHEMBL1707682 0.92 KAT2B (0.49) KAT2BKDM4EKMT2ASIGMAR1CHRNB2
SCHEMBL1707685 0.92 KAT2B (0.49) KAT2BKDM4EKMT2ASIGMAR1CHRNB2
Hydrochloric Acid SCHEMBL1707465 0.91 KAT2B (0.49) KAT2BKDM4EKMT2ASIGMAR1CHRNB2
SCHEMBL1708478 0.91 KAT2B (0.51) KAT2BKDM4EKMT2ASIGMAR1CHRNB2
SCHEMBL1706792 0.91 KAT2B (0.51) KAT2BKDM4EKMT2ASIGMAR1CHRNB2
Hydrochloric Acid SCHEMBL1707463 0.91 KAT2B (0.49) KAT2BKDM4EKMT2ASIGMAR1CHRNB2
SCHEMBL5169737 0.90 SIGMAR1 (0.47) SIGMAR1

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 KAT2B 23/4885KDM4E 450/4885KMT2A 67/4885

“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.