SCHEMBL3439465

SCHEMBL3439465

COC(=O)/C=C/c1cccc(CN)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.53
APP P05067 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
PTPN1 P18031 1/20 0.50
NQO1 P15559 1/20 0.49
FDPS P14324 1/20 0.49
EPHX2 P34913 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TYR P14679 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.48

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
SCHEMBL1164636 1.00 TTR (0.53) TTRAPPLOXL2SIRT2SIRT1
Hydrochloric Acid SCHEMBL1164634 0.98 TTR (0.51) TTRAPPLOXL2SIRT2SIRT1
Hydrochloric Acid SCHEMBL31389271 0.98 TTR (0.51) TTRAPPLOXL2SIRT2SIRT1
Hydrochloric Acid SCHEMBL1164635 0.98 TTR (0.51) TTRAPPLOXL2SIRT2SIRT1
SCHEMBL28167100 0.88 CYP4F2 (0.51) TTRAPPSIRT2SIRT1PTPN1
SCHEMBL14629610 0.86 HDAC4 (0.55) TTRAPPSIRT2SIRT1PTPN1
SCHEMBL3295973 0.86 TTR (0.54) TTRAPPSIRT2SIRT1PTPN1
SCHEMBL3295979 0.86 TTR (0.54) TTRAPPSIRT2SIRT1PTPN1
SCHEMBL2222363 0.85 TTR (0.57) TTRFDPSCA12CA1CA2
SCHEMBL2222362 0.85 TTR (0.57) TTRFDPSCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
WO-2011021209-A1 HISTONE DEACETYLASE INHIBITORS PORTSMOUTH TECHNOLOGIES LLC (US) 2011-02-24 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-20120101099-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC11 TTR 4779/4885APP 4660/4885LOXL2 3461/4885

“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.