SCHEMBL10099593

SCHEMBL10099593

CNCCCC(=O)Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.68
HDAC1 Q13547 17/20 0.62
HDAC4 P56524 16/20 0.62
HDAC7 Q8WUI4 16/20 0.62
HDAC11 Q96DB2 16/20 0.62
HDAC8 Q9BY41 16/20 0.62
HDAC6 Q9UBN7 16/20 0.62
HDAC9 Q9UKV0 16/20 0.62
HDAC5 Q9UQL6 16/20 0.62
HDAC3 O15379 16/20 0.62
HDAC2 Q92769 16/20 0.62
HDAC10 Q969S8 15/20 0.62
CYP3A4 P08684 2/20 0.62
KDM4E B2RXH2 1/20 0.62
BRD4 O60885 1/20 0.62
NCOR1 O75376 1/20 0.62
NR1I2 O75469 1/20 0.62
EGFR P00533 1/20 0.62
NR0B1 P51843 1/20 0.62
PLK1 P53350 1/20 0.62

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
SCHEMBL10099588 0.89 MAPT (0.59) LTA4HHDAC1HDAC4HDAC7HDAC11
SCHEMBL6296181 0.85 HDAC4 (0.75) LTA4HHDAC1HDAC4HDAC7HDAC11
SCHEMBL517309 0.85 HDAC4 (0.81) LTA4HHDAC1HDAC4HDAC7HDAC11
SCHEMBL12703834 0.84 HDAC4 (0.69) LTA4HHDAC1HDAC4HDAC7HDAC11
SCHEMBL6669511 0.83 HDAC4 (0.85) LTA4HHDAC1HDAC4HDAC7HDAC11
SCHEMBL6665592 0.83 HDAC4 (0.85) LTA4HHDAC1HDAC4HDAC7HDAC11
SCHEMBL1065393 0.83 HDAC4 (0.85) LTA4HHDAC1HDAC4HDAC7HDAC11
SCHEMBL137348 0.83 HDAC4 (0.85) LTA4HHDAC1HDAC4HDAC7HDAC11
SCHEMBL322121 0.82 HDAC4 (0.67) LTA4HHDAC1HDAC4HDAC7HDAC11
SCHEMBL7864815 0.82 HDAC1 (0.77) LTA4HHDAC1HDAC4HDAC7HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2022-05-19 US disclosed
US-8093227-B2 Monosaccharide compounds and methods therefor ALCHEMIA PTY LTD (AU) 2012-01-10 US disclosed
US-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR ALCHEMIA PTY LTD. (AU) 2010-07-22 US disclosed
US-7417129-B2 Combinatorial libraries of monosaccharides ALCHEMIA PTY LTD (AU) 2008-08-26 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-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 HDAC10, HDAC1, HDAC11 LTA4H 2212/4885HDAC1 2/4885HDAC4 9/4885
US-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR SLC5A1, UGGT1, MRPL21 LTA4H 1970/4885HDAC1 622/4885HDAC4 1649/4885

“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.