SCHEMBL18459194

SCHEMBL18459194

CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1C[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.70
▸ KDM4E B2RXH2 1/20 0.40
▸ GMNN O75496 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ STAT6 P42226 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ SLC5A2 P31639 3/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33

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
SCHEMBL18459196 1.00 HDAC6 (0.70) HDAC6KDM4EGMNNLMNAMAPT
SCHEMBL18459195 1.00 HDAC6 (0.70) HDAC6KDM4EGMNNLMNAMAPT
SCHEMBL18459374 0.85 HDAC6 (0.56) HDAC6TRPV4CCNT1CDK9
SCHEMBL18459375 0.85 HDAC6 (0.56) HDAC6TRPV4CCNT1CDK9
Maribavir SCHEMBL4656419 0.83 HDAC6 (1.00) HDAC6KDM4EGMNNLMNAMAPT
Maribavir SCHEMBL7214192 0.83 HDAC6 (1.00) HDAC6KDM4EGMNNLMNAMAPT
Maribavir SCHEMBL7895798 0.83 HDAC6 (1.00) HDAC6KDM4EGMNNLMNAMAPT
Maribavir SCHEMBL13641083 0.83 HDAC6 (1.00) HDAC6KDM4EGMNNLMNAMAPT
Maribavir SCHEMBL7638886 0.83 HDAC6 (1.00) HDAC6KDM4EGMNNLMNAMAPT
Maribavir SCHEMBL13058157 0.83 HDAC6 (1.00) HDAC6KDM4EGMNNLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200360414-A1 MARIBAVIR ISOMERS, COMPOSITIONS, METHODS OF MAKING AND METHODS OF USING SHIRE VIROPHARMA LLC 2020-11-19 — — US disclosed
US-10765692-B2 Maribavir isomers, compositions, methods of making and methods of using SHIRE VIROPHARMA INCORPORATED (US) 2020-09-08 — — US disclosed
US-20200054658-A1 MARIBAVIR ISOMERS, COMPOSITIONS, METHODS OF MAKING AND METHODS OF USING SHIRE VIROPHARMA LLC 2020-02-20 — — US disclosed
US-10485813-B2 Maribavir isomers, compositions, methods of making and methods of using SHIRE VIROPHARMA INCORPORATED (US) 2019-11-26 — — US disclosed
US-20170027974-A1 MARIBAVIR ISOMERS, COMPOSITIONS, METHODS OF MAKING AND METHODS OF USING SHIRE VIROPHARMA LLC 2017-02-02 — — 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 (5 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-20200360414-A1 MARIBAVIR ISOMERS, COMPOSITIONS, METHODS OF MAKING AND METHODS OF USING POLB, CYP4B1, CYP3A4 HDAC6 2079/4885KDM4E 2687/4885GMNN 1965/4885
US-20200054658-A1 MARIBAVIR ISOMERS, COMPOSITIONS, METHODS OF MAKING AND METHODS OF USING POLB, CYP4B1, CYP3A4 HDAC6 2079/4885KDM4E 2687/4885GMNN 1965/4885
US-20170027974-A1 MARIBAVIR ISOMERS, COMPOSITIONS, METHODS OF MAKING AND METHODS OF USING POLB, CYP4B1, CYP3A4 HDAC6 2079/4885KDM4E 2687/4885GMNN 1965/4885
US-10765692-B2 Maribavir isomers, compositions, methods of making and methods of using POLB, CYP4B1, CYP3A4 HDAC6 2079/4885KDM4E 2687/4885GMNN 1965/4885
US-10485813-B2 Maribavir isomers, compositions, methods of making and methods of using POLB, CYP4B1, CYP3A4 HDAC6 2079/4885KDM4E 2687/4885GMNN 1965/4885

“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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