SCHEMBL19479224

SCHEMBL19479224

CC(C)NC(=O)c1ccc(C(=O)NC(C)(C)C)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.46
HDAC1 Q13547 5/20 0.46
HDAC4 P56524 4/20 0.46
HDAC6 Q9UBN7 5/20 0.45
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
CYP2C9 P11712 2/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MLYCD O95822 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
SCHEMBL19508649 0.87 ALDH1A1 (0.46) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL11989148 0.87 HDAC3 (0.56) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL12589209 0.80 ALDH1A1 (0.50) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL1587163 0.80 ALDH1A1 (0.51) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL21124416 0.80 KDM4E (0.50) HDAC1HDAC4HDAC6ALDH1A1HPGD
SCHEMBL14625758 0.80 HDAC3 (0.50) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL12265900 0.79 NPC1 (0.55) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL25564678 0.79 KMT2A (0.45) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL1588287 0.79 NPSR1 (0.51) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL14748302 0.77 HDAC3 (0.47) HDAC3HDAC1HDAC4HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170296566-A9 METHODS AND COMPOSITIONS FOR TREATING AND/OR PREVENTING MUCOSITIS GLYCOMIMETICS, INC. (US) 2017-10-19 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-20170296566-A9 METHODS AND COMPOSITIONS FOR TREATING AND/OR PREVENTING MUCOSITIS SELE, SELP, SELPLG HDAC3 1371/4885HDAC1 1007/4885HDAC4 1945/4885

“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.