SCHEMBL823968

SCHEMBL823968

C=CCCC(=O)Nc1cccc(N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.62
HDAC3 O15379 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
DDX3X O00571 2/20 0.56
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
MAPK1 P28482 1/20 0.54
NPC1 O15118 2/20 0.52
POLB P06746 1/20 0.52
NAMPT P43490 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL28997262 0.82 MAPT (0.56) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL22743387 0.82 GAA (0.60) ALDH1A1MAPTNPC1POLBMEN1
SCHEMBL30225952 0.82 MEN1 (0.66) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL30226098 0.82 MAPT (0.56) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL28997258 0.82 MEN1 (0.66) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL30544715 0.82 HDAC3 (0.62) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL29054673 0.82 HDAC3 (0.62) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL13363465 0.81 HDAC1 (0.91) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL2577548 0.80 NAMPT (0.62) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL11597168 0.80 HDAC3 (0.72) HDAC4HDAC3HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133214-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD (SG) 2015-09-15 US disclosed
US-9133214-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD (SG) 2015-09-15 US disclosed
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-06-07 US disclosed
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-06-07 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
EP-1951730-B1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S BIO PTE LTD (SG) 2010-05-26 EP disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
WO-2007058628-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2007-05-24 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 (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-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD HDAC4 2872/4885HDAC3 2893/4885HDAC1 2698/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD HDAC4 2872/4885HDAC3 2893/4885HDAC1 2698/4885

“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.