SCHEMBL17864249

SCHEMBL17864249

CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1C[C@H](O)[C@H](CO)O1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.68
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
PNP P00491 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3A Q14432 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ADRB1 P08588 1/20 0.36
DNMT1 P26358 1/20 0.36

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
SCHEMBL7215122 1.00 HDAC6 (0.68) HDAC6CCNT1CDK9PNPLMNA
SCHEMBL7209010 1.00 HDAC6 (0.68) HDAC6CCNT1CDK9PNPLMNA
SCHEMBL7209018 1.00 HDAC6 (0.68) HDAC6CCNT1CDK9PNPLMNA
SCHEMBL7215077 0.82 HDAC6 (0.69) HDAC6CCNT1CDK9
SCHEMBL7215079 0.82 HDAC6 (0.69) HDAC6CCNT1CDK9
SCHEMBL17864244 0.82 HDAC6 (0.69) HDAC6CCNT1CDK9
Maribavir SCHEMBL7634766 0.81 HDAC6 (1.00) HDAC6LMNASMN1; SMN2RXFP1
Maribavir SCHEMBL18459197 0.81 HDAC6 (1.00) HDAC6LMNASMN1; SMN2RXFP1
Maribavir SCHEMBL1028527 0.81 HDAC6 (1.00) HDAC6LMNASMN1; SMN2RXFP1
Maribavir SCHEMBL13082009 0.81 HDAC6 (1.00) HDAC6LMNASMN1; SMN2RXFP1

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 2079/4885CCNT1 357/4885CDK9 223/4885

“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.