SCHEMBL17864233

SCHEMBL17864233

CO[C@H]([C@H](O)[C@H](O)CO)n1c(NC(C)C)nc2cc(Cl)c(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HAT1 O14929 2/20 0.39
▸ RBBP7 Q16576 2/20 0.39
▸ DCTPP1 Q9H773 1/20 0.33
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ GLP1R P43220 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 3/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ USP2 O75604 2/20 0.30
▸ CASP1 P29466 2/20 0.30
▸ BRCA1 P38398 2/20 0.30
▸ RECQL P46063 2/20 0.30
▸ CASP7 P55210 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ HSD17B10 Q99714 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL16417863 0.80 HAT1 (0.50) HDAC6HAT1RBBP7DCTPP1CCNT1
SCHEMBL12747297 0.76 HDAC6 (0.50) HDAC6CCNT1CDK9GLP1RMAPT
SCHEMBL12827141 0.70 HDAC6 (0.50) HDAC6CCNT1CDK9GLP1RMAPT
SCHEMBL8545269 0.64 HDAC6 (0.58) HDAC6CCNT1CDK9
SCHEMBL20132837 0.62 GAA (0.49) HDAC6MAPTALDH1A1KMT2AHSD17B10
Maribavir SCHEMBL13641208 0.62 HDAC6 (1.00) HDAC6MAPTKDM4ELMNACYP1A2
Maribavir SCHEMBL13641083 0.62 HDAC6 (1.00) HDAC6MAPTKDM4ELMNACYP1A2
SCHEMBL18459194 0.62 HDAC6 (0.70) HDAC6CCNT1CDK9MAPTKDM4E
Maribavir SCHEMBL13058157 0.62 HDAC6 (1.00) HDAC6MAPTKDM4ELMNACYP1A2
SCHEMBL8796597 0.62 HDAC6 (0.61) HDAC6CCNT1CDK9GLP1R

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-20160175338-A1 MARIBAVIR ISOMERS, COMPOSITIONS, METHODS OF MAKING AND METHODS OF USING VIROPHARMA INCORPORATED 2016-06-23 — — 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-20160175338-A1 MARIBAVIR ISOMERS, COMPOSITIONS, METHODS OF MAKING AND METHODS OF USING POLB, CYP4B1, CYP3A4 HDAC6 2079/4885HAT1 2016/4885RBBP7 2748/4885

“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.

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