SCHEMBL832703

SCHEMBL832703

COC(=O)C=Cc1ccc2c(c1)ncn2CCNCC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.53
HDAC8 Q9BY41 4/20 0.53
FDPS P14324 1/20 0.40
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 1/20 0.39
TTR P02766 1/20 0.39
APP P05067 1/20 0.39
IDH1 O75874 3/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PTPN1 P18031 1/20 0.38
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 2/20 0.37
JAK2 O60674 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 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
SCHEMBL832702 1.00 HDAC1 (0.53) HDAC1HDAC8FDPSKDM4ESMN1; SMN2
SCHEMBL834227 0.83 HDAC1 (0.64) HDAC1HDAC8FDPSKDM4ESMN1; SMN2
SCHEMBL834228 0.83 HDAC1 (0.64) HDAC1HDAC8FDPSKDM4ESMN1; SMN2
SCHEMBL868306 0.82 HDAC1 (0.52) HDAC1HDAC8FDPSKDM4ESMN1; SMN2
SCHEMBL832618 0.82 HDAC1 (0.60) HDAC1HDAC8FDPSKDM4ESMN1; SMN2
SCHEMBL832617 0.82 HDAC1 (0.60) HDAC1HDAC8FDPSKDM4ESMN1; SMN2
SCHEMBL832903 0.79 HDAC1 (0.72) HDAC1HDAC8APP
SCHEMBL832902 0.79 HDAC1 (0.72) HDAC1HDAC8APP
SCHEMBL833977 0.75 HDAC1 (0.72) HDAC1HDAC8APP
SCHEMBL833976 0.75 HDAC1 (0.72) HDAC1HDAC8APP

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
US-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
EP-1937650-B1 HETEROCYCLIC COMPOUNDS S BIO PTE LTD (SG) 2011-06-15 EP disclosed
US-20090048300-A1 Heterocyclic Compounds S*BIO PTE LTD. (SG) 2009-02-19 US disclosed
EP-1937650-A1 HETEROCYCLIC COMPOUNDS S*Bio Pte Ltd (SG) 2008-07-02 EP disclosed
WO-2007030080-A1 HETEROCYCLIC COMPOUNDS S*BIO PTE LTD (SG) 2007-03-15 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-20090048300-A1 Heterocyclic Compounds HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC8 4/4885FDPS 454/4885

“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.