SCHEMBL832617

SCHEMBL832617

COC(=O)/C=C/c1ccc2c(c1)ncn2CCBr

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.60
HDAC8 Q9BY41 5/20 0.57
FDPS P14324 1/20 0.45
APP P05067 2/20 0.45
TTR P02766 1/20 0.45
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 1/20 0.44
PTPN1 P18031 1/20 0.43
EPHX2 P34913 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
JAK2 O60674 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
SCHEMBL832618 1.00 HDAC1 (0.60) HDAC1HDAC8FDPSAPPTTR
SCHEMBL834227 0.89 HDAC1 (0.64) HDAC1HDAC8FDPSAPPTTR
SCHEMBL834228 0.89 HDAC1 (0.64) HDAC1HDAC8FDPSAPPTTR
SCHEMBL832702 0.82 HDAC1 (0.53) HDAC1HDAC8FDPSAPPTTR
SCHEMBL832703 0.82 HDAC1 (0.53) HDAC1HDAC8FDPSAPPTTR
SCHEMBL868306 0.80 HDAC1 (0.52) HDAC1HDAC8FDPSAPPTTR
SCHEMBL3367512 0.75 HDAC1 (1.00) HDAC1HDAC8APPHDAC6HDAC2
SCHEMBL3367506 0.75 HDAC1 (1.00) HDAC1HDAC8APPHDAC6HDAC2
SCHEMBL830373 0.74 HDAC1 (0.80) HDAC1HDAC8HDAC6HDAC2HDAC11
SCHEMBL830372 0.74 HDAC1 (0.80) HDAC1HDAC8HDAC6HDAC2HDAC11

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 10 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
US-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
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
US-20090048300-A1 Heterocyclic Compounds S*BIO PTE LTD. (SG) 2009-02-19 US 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
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.