SCHEMBL20392575

SCHEMBL20392575

CC(C)(C)OC(=O)N1Cc2cn(CC(F)F)nc2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 3/20 0.43
SLC34A1 Q06495 1/20 0.39
NR1H2 P55055 3/20 0.39
ESR2 Q92731 1/20 0.38
MAPK1 P28482 1/20 0.38
NAMPT P43490 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
MAPT P10636 1/20 0.36
KDM1A O60341 3/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
DPP4 P27487 1/20 0.35
KDM1B Q8NB78 1/20 0.35

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
SCHEMBL31460333 0.86 HDAC1 (0.41) HDAC1SLC34A1NR1H2ESR2MAPK1
SCHEMBL20738563 0.86 HDAC1 (0.41) HDAC1HDAC2SLC34A1NR1H2ESR2
SCHEMBL12451984 0.85 HDAC1 (0.39) HDAC1SLC34A1NR1H2ESR2MAPK1
SCHEMBL9918101 0.84 HDAC1 (0.40) HDAC1SLC34A1NR1H2ESR2MAPK1
SCHEMBL28036918 0.84 HDAC1 (0.40) HDAC1SLC34A1NR1H2ESR2MAPK1
SCHEMBL25500735 0.82 HDAC1 (0.36) HDAC1HDAC2SLC34A1NR1H2ESR2
SCHEMBL28037333 0.82 NR1H2 (0.40) HDAC1SLC34A1NR1H2ESR2MAPK1
SCHEMBL6893628 0.82 NR1H2 (0.40) HDAC1SLC34A1NR1H2ESR2MAPK1
SCHEMBL24506706 0.82 KDM1A (0.50) HDAC1HDAC2SLC34A1ESR2MAPT
SCHEMBL23372983 0.81 HDAC1 (0.46) HDAC1HDAC2SLC34A1NR1H2ESR2

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-11225479-B2 Bicyclic inhibitors of histone deacetylase ALKERMES, INC. (US) 2022-01-18 US disclosed
US-20210122748-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2021-04-29 US disclosed
EP-3568135-B1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE ALKERMES INC (US) 2021-04-07 EP disclosed
US-10793567-B2 Bicyclic inhibitors of histone deacetylase RODIN THERAPEUTICS, INC. (US) 2020-10-06 US disclosed
WO-2018132533-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC. (US) 2018-07-19 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 (3 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-20210122748-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC3 HDAC1 2/4885HDAC2 1/4885SLC34A1 2627/4885
US-10793567-B2 Bicyclic inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 HDAC1 2/4885HDAC2 1/4885SLC34A1 2288/4885
US-11225479-B2 Bicyclic inhibitors of histone deacetylase HDAC2, HDAC1, HDAC3 HDAC1 2/4885HDAC2 1/4885SLC34A1 2627/4885

“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.