SCHEMBL4889787

SCHEMBL4889787

NCCCC[C@H](NC(=O)Nc1ccc(OCc2ccccc2)cc1)C(=O)Nc1nc2ccccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
LTA4H P09960 3/20 0.55
ALOX5 P09917 5/20 0.51
EPHX2 P34913 5/20 0.51
MAPT P10636 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL13239642 0.82 ALOX5 (0.70) HDAC6ALOX5EPHX2MAPTNPC1
SCHEMBL14111113 0.81 LTA4H (0.66) LTA4HNPC1RAB9AMEN1KMT2A
SCHEMBL4600092 0.81 LTA4H (0.67) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL4598883 0.81 LTA4H (0.67) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL4599431 0.81 LTA4H (0.67) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL4598874 0.80 LTA4H (0.66) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL4598882 0.80 LTA4H (0.66) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL4599698 0.78 LTA4H (0.62) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL4599694 0.78 LTA4H (0.62) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL4600154 0.78 LTA4H (0.62) LTA4HNPC1RAB9ASMN1; SMN2

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-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 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 (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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 HDAC1 1003/4885HDAC6 592/4885HDAC3 328/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH HDAC1 1454/4885HDAC6 1578/4885HDAC3 3231/4885

“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.