SCHEMBL197036

SCHEMBL197036

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1N

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.54
AAK1 Q2M2I8 4/20 0.53
HDAC2 Q92769 10/20 0.51
HDAC1 Q13547 9/20 0.51
KCNQ4 P56696 2/20 0.47
KCNQ5 Q9NR82 2/20 0.47
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
MAP4K4 O95819 1/20 0.46
HDAC3 O15379 4/20 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
SCHEMBL30059279 1.00 CYP17A1 (0.54) CYP17A1AAK1HDAC2HDAC1KCNQ4
SCHEMBL20163070 0.91 ABCB1 (0.56) CYP17A1AAK1HDAC2HDAC1KCNQ4
SCHEMBL25216132 0.89 CYP17A1 (0.54) CYP17A1AAK1HDAC2HDAC1KCNQ4
SCHEMBL3786645 0.89 AAK1 (0.53) CYP17A1AAK1HDAC2HDAC1ABCB1
SCHEMBL29581478 0.89 HDAC1 (0.55) CYP17A1AAK1HDAC2HDAC1KCNQ4
SCHEMBL197145 0.89 HDAC1 (0.55) CYP17A1AAK1HDAC2HDAC1KCNQ4
SCHEMBL5868895 0.88 AAK1 (0.48) CYP17A1AAK1HDAC2HDAC1KCNQ4
SCHEMBL30118376 0.88 AAK1 (0.48) CYP17A1AAK1HDAC2HDAC1KCNQ4
SCHEMBL5869075 0.88 AAK1 (0.52) CYP17A1AAK1ABCB1ABCC1MAP4K4
SCHEMBL24233399 0.88 AAK1 (0.52) CYP17A1AAK1HDAC2HDAC1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026103694-A1 HDAC INHIBITOR, AND PREPARATION AND USE THEREOF 赛岚(杭州)生物医药科技有限公司 2026-05-21 WO disclosed
US-20250136570-A1 HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2025-05-01 US disclosed
CN-119176770-A HDAC inhibitors, compositions and uses thereof 艾立康药业股份有限公司 2024-12-24 CN disclosed
EP-4441033-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-10-09 EP disclosed
CN-118715206-A Novel HDAC inhibitors and therapeutic uses thereof 探戈医药股份有限公司 2024-09-27 CN disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 US disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 US disclosed
US-7151098-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US disclosed
US-7018998-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-6960578-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2005-11-01 US disclosed
US-20050234048-A1 Glutamate receptor antagonists ADAM GEO 2005-10-20 US disclosed
EP-1224175-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-03-17 EP disclosed
US-20030092677-A1 Glutamate receptor antagonists ADAM GEO (DE) 2003-05-15 US disclosed
US-6509328-B1 Metabotropic glutamate receptor antagonists and accordingly are useful for the treatment of a range of neurological disorders, including psychosis, schizophrenia, Alzheimer's and others HOFFMANN-LA ROCHE INC. 2003-01-21 US disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (6 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-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 CYP17A1 1449/4885AAK1 1593/4885HDAC2 1771/4885
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 CYP17A1 1294/4885AAK1 2510/4885HDAC2 9/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 CYP17A1 1907/4885AAK1 2207/4885HDAC2 1941/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 CYP17A1 1907/4885AAK1 2207/4885HDAC2 1941/4885
US-20250136570-A1 HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 CYP17A1 657/4885AAK1 3018/4885HDAC2 8/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 CYP17A1 657/4885AAK1 3018/4885HDAC2 8/4885

“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.