SCHEMBL197145

SCHEMBL197145

CC(C)(C)OC(=O)Nc1ccc(F)cc1N

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.55
HDAC3 O15379 4/20 0.50
NCOR2 Q9Y618 2/20 0.50
HDAC2 Q92769 1/20 0.50
KCNQ4 P56696 4/20 0.47
KCNQ5 Q9NR82 4/20 0.47
AAK1 Q2M2I8 5/20 0.46
CYP17A1 P05093 1/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
HDAC8 Q9BY41 1/20 0.44
HTT P42858 1/20 0.42

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
SCHEMBL29581478 1.00 HDAC1 (0.55) HDAC1HDAC3NCOR2HDAC2KCNQ4
SCHEMBL30059279 0.89 CYP17A1 (0.54) HDAC1HDAC3HDAC2KCNQ4KCNQ5
SCHEMBL197036 0.89 CYP17A1 (0.54) HDAC1HDAC3HDAC2KCNQ4KCNQ5
SCHEMBL29549489 0.88 HDAC1 (0.50) HDAC1HDAC3HDAC2KCNQ4KCNQ5
SCHEMBL826795 0.88 HDAC1 (0.50) HDAC1HDAC3HDAC2KCNQ4KCNQ5
SCHEMBL857284 0.88 HTT (0.55) KCNQ4KCNQ5CYP17A1HTT
SCHEMBL5868867 0.87 AAK1 (0.45) HDAC1HDAC3NCOR2HDAC2KCNQ4
SCHEMBL5868883 0.87 AAK1 (0.45) HDAC1HDAC3NCOR2HDAC2KCNQ4
SCHEMBL5557083 0.85 KCNQ4 (0.47) HDAC1HDAC3NCOR2HDAC2KCNQ4
SCHEMBL5868895 0.85 AAK1 (0.48) HDAC1HDAC2KCNQ4KCNQ5AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118632841-A Heterocyclic compounds for the treatment of cancer 阿提奥斯医药有限公司 2024-09-10 CN disclosed
CN-110845425-B Phthalazine derivative and preparation method and application thereof 合肥工业大学 2023-09-08 CN disclosed
WO-2023067354-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed
WO-2023003468-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE (HDAC), AND METHODS, COMPOSITIONS AND USES RELATED THERETO. RIJKSUNIVERSITEIT GRONINGEN (NL) 2023-01-26 WO disclosed
EP-2751095-B1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD BURNHAM MED RES INST (US) 2021-10-27 EP disclosed
EP-2751095-B1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD BURNHAM MED RES INST (US) 2021-10-27 EP disclosed
CN-113461602-A Aniline compounds with HDAC (HDAC) inhibitory activity, preparation method, composition and application 北京华氏信华科生物科技有限公司 2021-10-01 CN disclosed
US-10981933-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2021-04-20 US disclosed
CN-105683166-B Substituted pyrimidine Bmi-1 inhibitors PTC医疗公司 2020-06-16 CN disclosed
US-20200148704-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2020-05-14 US disclosed
EP-1474416-B1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-7235547-B2 Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist HOFFMANN-LA ROCHE INC. (US) 2007-06-26 US disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 US disclosed
EP-1651234-A1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-03 EP disclosed
US-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 US disclosed
US-20050049243-A1 Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist HOFFMANN-LA ROCHE INC. 2005-03-03 US disclosed
WO-2005014002-A1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO disclosed
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 US disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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-20200148704-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 HDAC1 1/4885HDAC3 3/4885NCOR2 47/4885
US-20050049243-A1 Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist GRM2, GRIK2, GRIA2 HDAC1 541/4885HDAC3 1304/4885NCOR2 525/4885
US-10981933-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 HDAC1 1/4885HDAC3 3/4885NCOR2 47/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 HDAC1 3175/4885HDAC3 4463/4885NCOR2 4321/4885
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 HDAC1 1172/4885HDAC3 1055/4885NCOR2 989/4885

“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.