SCHEMBL18380129

SCHEMBL18380129

Nc1cnc(-c2ccc(F)cc2)cc1NC(=O)C1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 1.00
▸ HDAC2 Q92769 19/20 1.00
▸ HDAC3 O15379 11/20 0.71
▸ MAPK8 P45983 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ MAPK14 Q16539 1/20 0.52

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
SCHEMBL18379871 0.84 HDAC1 (0.72) HDAC1HDAC2HDAC3MAPK8MAPK10
SCHEMBL13740528 0.83 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL18379622 0.80 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL18379827 0.77 HDAC1 (1.00) HDAC1HDAC2HDAC3MAPK8MAPK10
SCHEMBL13833353 0.76 HDAC1 (0.80) HDAC1HDAC2HDAC3
SCHEMBL18379794 0.74 HDAC2 (1.00) HDAC1HDAC2HDAC3
SCHEMBL13735477 0.73 HDAC2 (1.00) HDAC1HDAC2HDAC3
SCHEMBL13833329 0.72 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL13833389 0.72 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL13833371 0.72 HDAC1 (1.00) HDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 — — US disclosed
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 — — US disclosed
US-20210277007-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2021-09-09 — — US disclosed
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2021-02-16 — — US disclosed
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-08-06 — — US disclosed
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 — — US disclosed
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 — — US disclosed
WO-2017007756-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC (US) 2017-01-12 — — 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 (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-11858939-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 HDAC1 2/4885HDAC2 1/4885HDAC3 5/4885
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 HDAC1 2/4885HDAC2 1/4885HDAC3 5/4885
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 HDAC1 2/4885HDAC2 1/4885HDAC3 5/4885
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 HDAC1 2/4885HDAC2 1/4885HDAC3 5/4885
US-20210277007-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 HDAC1 2/4885HDAC2 1/4885HDAC3 5/4885

“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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