SCHEMBL4229392

SCHEMBL4229392

O=C(O)C=Cc1cnc(N[C@@H]2CCCN(CCc3ccccc3)C2)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 6/20 0.45
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
DRD3 P35462 1/20 0.42
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4229385 1.00 KAT2B (0.45) KAT2BLTA4HEPHX2DRD3JAK2
SCHEMBL1708335 0.95 KAT2B (0.51) KAT2BKDM4EKMT2ASIGMAR1
SCHEMBL1708336 0.95 KAT2B (0.51) KAT2BKDM4EKMT2ASIGMAR1
SCHEMBL4225920 0.94 SIGMAR1 (0.47) LTA4HSIGMAR1HDAC1HDAC8HDAC6
SCHEMBL5169737 0.94 SIGMAR1 (0.47) LTA4HSIGMAR1HDAC1HDAC8HDAC6
SCHEMBL4225925 0.94 SIGMAR1 (0.47) LTA4HSIGMAR1HDAC1HDAC8HDAC6
SCHEMBL1708477 0.92 KAT2B (0.41) KAT2BLTA4HKMT2A
SCHEMBL1708479 0.92 KAT2B (0.41) KAT2BLTA4HKMT2A
SCHEMBL4228350 0.91 JAK2 (0.50) KAT2BJAK2JAK3KDM4ESIGMAR1
SCHEMBL4228357 0.91 JAK2 (0.50) KAT2BJAK2JAK3KDM4ESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 KAT2B 16/4885LTA4H 1204/4885EPHX2 3290/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 KAT2B 19/4885LTA4H 1587/4885EPHX2 3317/4885

“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.