SCHEMBL168220

SCHEMBL168220

NC(=O)c1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.71
HDAC1 Q13547 7/20 0.68
HDAC8 Q9BY41 7/20 0.68
HDAC6 Q9UBN7 7/20 0.68
PDE4B Q07343 3/20 0.57
IRAK4 Q9NWZ3 1/20 0.48
LMNA P02545 1/20 0.47
PDE4D Q08499 1/20 0.46
GRM2 Q14416 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL1385110 0.91 ALDH1A1 (0.60) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL2560216 0.85 HDAC1 (0.69) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL27808017 0.85 ALDH1A1 (0.73) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL21689255 0.85 ALDH1A1 (0.73) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL28033118 0.83 ALDH1A1 (0.71) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL2222487 0.83 HDAC1 (0.68) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL893099 0.83 ALDH1A1 (1.00) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL27721487 0.81 ALDH1A1 (0.73) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL27786311 0.80 ALDH1A1 (0.47) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL2221957 0.80 HDAC1 (0.67) ALDH1A1HDAC1HDAC8HDAC6PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP claimed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 WO claimed
EP-3829559-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2026-05-13 EP disclosed
US-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection MERCK SHARP & DOHME LLC (US) 2025-06-17 US disclosed
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-09-09 US disclosed
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-09-09 US disclosed
EP-3829559-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION Merck Sharp & Dohme Corp. (US) 2021-06-09 EP disclosed
WO-2020028150-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2020-02-06 WO disclosed
WO-2020028150-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2020-02-06 WO 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 (2 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-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection HDAC1, HDAC11, HDAC10 ALDH1A1 160/4885HDAC1 1/4885HDAC8 10/4885
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC10 ALDH1A1 160/4885HDAC1 1/4885HDAC8 10/4885

“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.