SCHEMBL5584154

SCHEMBL5584154

CC(C)(O)c1ccc(-c2cnc(NCc3ccc(C(=O)O)cc3)nc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.53
VNN1 O95497 8/20 0.48
HDAC3 O15379 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
SYK P43405 2/20 0.45
VCP P55072 1/20 0.43
CSNK2A1 P68400 1/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 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
SCHEMBL209589 0.85 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC6SYK
SCHEMBL2733463 0.77 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC6VCP
SCHEMBL14822487 0.73 P4HA1 (0.53)
SCHEMBL27717831 0.73 VNN1 (0.59) HDAC1VNN1HDAC3HDAC2HDAC6
SCHEMBL600427 0.72 P4HA1 (0.52)
SCHEMBL16397614 0.71 KMT2A (0.60) HDAC1VNN1HDAC3HDAC2HDAC6
SCHEMBL2732645 0.67 KMT2A (0.59) EPHX2NR1H4SMN1; SMN2KMT2A
SCHEMBL16408476 0.67 VCP (0.59) HDAC1VNN1HDAC3HDAC2HDAC6
SCHEMBL946562 0.67 KMO (0.51) HDAC1SYKSMN1; SMN2
SCHEMBL2340910 0.67 RXRA (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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 (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-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885VNN1 2936/4885HDAC3 5/4885

“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.