SCHEMBL132540

SCHEMBL132540

CC(C)(C)OC(=O)CCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CYP1A2 P05177 1/20 0.37
STING1 Q86WV6 1/20 0.35
DGAT1 O75907 1/20 0.34
CTSK P43235 2/20 0.34
CYP2D6 P10635 1/20 0.34
EPHX2 P34913 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
Hydrochloric Acid SCHEMBL535279 0.98 HDAC1 (0.36) HDAC1HDAC2HDAC6HDAC3HDAC8
Hydrochloric Acid SCHEMBL949316 0.98 HDAC1 (0.36) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL28580994 0.89 HDAC3 (0.33) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL15653871 0.88 PAOX (0.47) HDAC1HDAC2HDAC6HDAC8CYP1A2
SCHEMBL648724 0.86 CYP1A2 (0.54) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL179682 0.85 CYP1A2 (0.39) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL901575 0.84 CYP1A2 (0.47) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL22832200 0.84 CYP1A2 (0.52) HDAC1HDAC2HDAC6HDAC3HDAC8
Hydrochloric Acid SCHEMBL1093848 0.84 CYP1A2 (0.52) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL644646 0.84 TSHR (0.45) HDAC1HDAC2HDAC6HDAC3HDAC8

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 1091 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109734666-B Preparation method for synthesizing indazolinones compound by carbon dioxide promotion and photo-induction without photocatalyst 湖南大学 2023-03-28 CN claimed
EP-3666767-B1 PHTHALAZINONE DERIVATIVES, METHOD FOR THEIR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION COMPRISING THEM, AND THEIR USE SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-12-01 EP claimed
US-11040952-B2 Phthalazinone compound, method for preparation thereof, pharmaceutical composition thereof, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-06-22 US claimed
CN-109134429-B Phthalazinone compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2021-06-01 CN claimed
CN-107903302-B Preparation method of gamma-lactam bridged dipeptide compound 韶远科技(上海)有限公司 2021-05-14 CN claimed
EP-3666767-A1 PYRIDAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-06-17 EP claimed
US-20200181109-A1 PHTHALAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-06-11 US claimed
CN-108578399-B Application of amino acid ester compound in preparation of anti-CVB 3 virus medicine 湖北工业大学 2020-01-07 CN claimed
CN-109843851-A PH response type lipid 夸祖鲁·纳塔尔大学 2019-06-04 CN claimed
CN-103865013-A Preparation method of glucose and temperature-responsive insulin controlled release carrier UNIV TONGJI 2014-06-18 CN claimed
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP claimed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US claimed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
EP-1064253-B1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2003-01-29 EP claimed
US-6346633-B1 TERT-AMINOPHENYLESTER OF ACID ASTRAZENECA AB (SE) 2002-02-12 US claimed
EP-1064253-A1 ANTI-TUMOUR AGENTS AstraZeneca AB (SE) 2001-01-03 EP claimed
WO-1999048857-A1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 1999-09-30 WO claimed
US-5908960-A Compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-06-01 US claimed
US-5061806-A Phosphinic acid derivatives MERCK & CO., INC. (US) 1991-10-29 US claimed
US-4308168-A ALKYLESTERS OF AMINO ACIDS, NONTOXIC IDEMITSU KOSAN CO., LTD. (JP) 1981-12-29 US claimed

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-20200181109-A1 PHTHALAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF POLRMT, POLN, HCCS HDAC1 523/4885HDAC2 556/4885HDAC6 735/4885
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 HDAC1 2089/4885HDAC2 2249/4885HDAC6 4064/4885
US-11040952-B2 Phthalazinone compound, method for preparation thereof, pharmaceutical composition thereof, and use thereof POLRMT, POLN, HCCS HDAC1 523/4885HDAC2 556/4885HDAC6 735/4885

“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.