Sugi Predict

Sugi Predict / Compounds / SCHEMBL826795

SCHEMBL826795

SCHEMBL826795

CC(C)(C)OC(=O)Nc1cc(F)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.50
▸ HDAC2 Q92769 12/20 0.49
▸ AAK1 Q2M2I8 1/20 0.46
▸ KCNQ4 P56696 1/20 0.45
▸ KCNQ5 Q9NR82 1/20 0.45
▸ HDAC3 O15379 5/20 0.42
▸ CYP17A1 P05093 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL29549489 1.00 HDAC1 (0.50) HDAC1HDAC2AAK1KCNQ4KCNQ5
SCHEMBL29581478 0.88 HDAC1 (0.55) HDAC1HDAC2AAK1KCNQ4KCNQ5
SCHEMBL197145 0.88 HDAC1 (0.55) HDAC1HDAC2AAK1KCNQ4KCNQ5
SCHEMBL30926421 0.87 HDAC2 (0.42) HDAC1HDAC2AAK1KCNQ4KCNQ5
SCHEMBL3407965 0.84 HPGD (0.49) HDAC1HDAC2AAK1HDAC3
SCHEMBL29741562 0.84 HPGD (0.49) HDAC1HDAC2AAK1HDAC3
SCHEMBL15614546 0.84 MAPT (0.51) KCNQ4KCNQ5CYP17A1RXFP1
SCHEMBL2227781 0.84 AAK1 (0.48) HDAC1HDAC2AAK1HDAC3RXFP1
SCHEMBL20057682 0.83 AAK1 (0.47) HDAC1HDAC2AAK1HDAC3RXFP1
SCHEMBL27398698 0.83 MAPT (0.51) KCNQ4KCNQ5RXFP1

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 156 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239885-A Synthesis method of cidamine 常州合全药业有限公司 2024-06-25 — — CN claimed
CN-111187268-B Compound CYD19 or pharmaceutically acceptable salt as Snail inhibitor and preparation method, pharmaceutical composition and application thereof 中国药科大学 2021-08-17 — — CN claimed
CN-118239885-A Synthesis method of cidamine 常州合全药业有限公司 2024-06-25 — — CN disclosed
WO-2023185752-A1 TRIAZOLAMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海科技大学 2023-10-05 — — WO disclosed
CN-116813560-A Triazole amide compound, and preparation method and application thereof 上海科技大学 2023-09-29 — — CN disclosed
CN-111479813-B Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2023-03-21 — — CN disclosed
US-11572368-B2 Inhibitors of histone deacetylase THE GENERAL HOSPITAL CORPORATION (US) 2023-02-07 — — US disclosed
WO-2023284651-A1 N-(2-AMINOPHENYL)BENZAMIDE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 — — WO disclosed
US-11377423-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2022-07-05 — — US disclosed
US-11377423-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2022-07-05 — — US disclosed
CN-110452152-B 1, 3-dioxo isoindoline benzamide compound and application thereof 中国医学科学院药物研究所 2022-05-20 — — CN disclosed
US-20100093818-A1 BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-04-15 — — US disclosed
WO-2009080555-A2 CARBOXYL- OR HYDROXYL- SUBSTITUTED BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 — — WO disclosed
US-20090163552-A1 CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-06-25 — — US disclosed
WO-2009062874-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-05-22 — — WO disclosed
US-20090131482-A1 METHYL-BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-05-21 — — US disclosed
US-20090062356-A1 SUBSTITUTED BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-03-05 — — US disclosed
US-20050153978-A1 Medicaments GLAXO GROUP LIMITED (GB) 2005-07-14 — — US disclosed
EP-1487441-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-22 — — EP disclosed
WO-2003080125-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 — — 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 (7 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-20090062356-A1 SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NR1H4, SLC10A1, FXR1 HDAC1 374/4885HDAC2 498/4885AAK1 3523/4885
US-11572368-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 HDAC1 2/4885HDAC2 1/4885AAK1 1755/4885
US-20050153978-A1 Medicaments GRK1, ROCK1, GRK7 HDAC1 557/4885HDAC2 954/4885AAK1 476/4885
US-11377423-B2 Inhibitors of histone deacetylase HDAC3, HDAC1, HDAC11 HDAC1 2/4885HDAC2 5/4885AAK1 1279/4885
US-20090131482-A1 METHYL-BENZIMIDAZOLE DERIVATIVES HDAC10, CYP3A4, ECI1 HDAC1 30/4885HDAC2 79/4885AAK1 4239/4885
US-20100093818-A1 BENZIMIDAZOLE DERIVATIVES CYP2B6, CYP3A4, CYP2C19 HDAC1 138/4885HDAC2 273/4885AAK1 3894/4885
US-20090163552-A1 CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NR1H4, GPBAR1, SLC10A1 HDAC1 347/4885HDAC2 773/4885AAK1 4069/4885

“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.