SCHEMBL10099574

SCHEMBL10099574

O=C(O)CCCCCNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.84
HDAC1 Q13547 5/20 0.73
HDAC3 O15379 4/20 0.73
HDAC4 P56524 3/20 0.73
HDAC7 Q8WUI4 3/20 0.73
HDAC2 Q92769 3/20 0.73
HDAC10 Q969S8 3/20 0.73
HDAC11 Q96DB2 3/20 0.73
HDAC8 Q9BY41 3/20 0.73
HDAC6 Q9UBN7 3/20 0.73
HDAC9 Q9UKV0 3/20 0.73
HDAC5 Q9UQL6 3/20 0.73
CYP1A2 P05177 2/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
FABP4 P15090 1/20 0.62
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
MAOB P27338 1/20 0.58
POLB P06746 1/20 0.58

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
SCHEMBL5659485 1.00 MAPK1 (0.84) MAPK1HDAC1HDAC3HDAC4HDAC7
SCHEMBL11321936 0.93 MAPK1 (0.72) MAPK1HDAC1HDAC3HDAC4HDAC7
SCHEMBL428355 0.92 MAPK1 (1.00) MAPK1HDAC1HDAC3HDAC4HDAC7
SCHEMBL9491749 0.90 HDAC3 (0.76) MAPK1HDAC1HDAC3HDAC4HDAC7
SCHEMBL7739875 0.89 MAPK1 (0.66) MAPK1HDAC1HDAC3HDAC4HDAC7
SCHEMBL29036004 0.88 MAPK1 (0.65) MAPK1HDAC1HDAC3HDAC4HDAC7
SCHEMBL9183154 0.87 MAPK1 (0.90) MAPK1HDAC1HDAC3HDAC4HDAC7
SCHEMBL5625471 0.86 CYP1A2 (0.66) MAPK1HDAC1HDAC3HDAC4HDAC7
SCHEMBL11473837 0.86 NPC1 (0.66) MAPK1HDAC1HDAC3HDAC4HDAC7
SCHEMBL11471260 0.86 NPC1 (0.66) MAPK1HDAC1HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093227-B2 Monosaccharide compounds and methods therefor ALCHEMIA PTY LTD (AU) 2012-01-10 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-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
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 (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-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR SLC5A1, UGGT1, MRPL21 MAPK1 432/4885HDAC1 622/4885HDAC3 2450/4885

“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.