SCHEMBL296754

SCHEMBL296754

CC(C)(C)OC(=O)Nc1cccc(OB(O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
CYP17A1 P05093 1/20 0.46
KAT6A Q92794 1/20 0.45
MAPK1 P28482 2/20 0.45
FAAH O00519 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
RXFP1 Q9HBX9 2/20 0.44
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
STAT1 P42224 1/20 0.43

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
SCHEMBL296753 0.90 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1110607 0.84 CA12 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL281590 0.84 RAB9A (0.59) PDK1PDK2PDK3PDK4MAPK1
SCHEMBL29029431 0.83 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29991055 0.83 NPC1 (0.55) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL27833511 0.83 NPC1 (0.55) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL27828678 0.82 CYP17A1 (0.48) HDAC3HDAC1HDAC2HDAC8PDK1
SCHEMBL2481722 0.81 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3892771 0.81 ALDH1A1 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL999347 0.81 KMT2A (0.61) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114188658-B Film, preparation method thereof and battery 深圳中兴新材技术股份有限公司 2024-12-10 CN claimed
CN-112480116-B PKB inhibitors 南京正大天晴制药有限公司 2024-03-29 CN disclosed
CN-103987707-B The base heterocyclic radical benzamide compound of pyrazoles 4 and application method 霍夫曼-拉罗奇有限公司 2017-11-07 CN disclosed
CN-103748086-B Pyridine and pyrazines derivatives MERCK PATENT GMBH (DE) 2016-05-25 CN disclosed
CN-104230900-A Antiviral compounds GILEAD SCIENCES INC 2014-12-24 CN disclosed
CN-104211713-A Antiviral compounds GILEAD SCIENCES INC 2014-12-17 CN disclosed
CN-104211689-A Antiviral compounds GILEAD SCIENCES INC 2014-12-17 CN disclosed
CN-104016971-A Antiviral compounds GILEAD SCIENCES INC 2014-09-03 CN disclosed
CN-103977406-A Antiviral compounds GILEAD SCIENCES INC 2014-08-13 CN disclosed
CN-102596936-B Antiviral compounds GILEAD SCIENCES INC 2014-06-11 CN disclosed
US-8492543-B2 Method for producing quinazoline derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-07-23 US disclosed
CN-102596936-A Antiviral compounds GILEAD SCIENCES INC 2012-07-18 CN disclosed
EP-2202229-B1 NOVEL PREPARATION FOR EXTERNAL USE EISAI R&D MAN CO LTD (JP) 2012-03-14 EP disclosed
CN-102333757-A N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD 2012-01-25 CN disclosed
EP-2189450-B1 METHOD FOR PRODUCING QUINAZOLINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2011-12-21 EP disclosed
US-20110152521-A1 Method for Producing Quinazoline Derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-23 US disclosed
CN-102076331-A Prodrugs and drug-macromolecule conjugates having controlled drug release rates PROLYNX LLC 2011-05-25 CN disclosed
US-20110021545-A1 NOVEL PREPARATION FOR EXTERNAL USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-27 US disclosed
EP-2202229-A1 NOVEL PREPARATION FOR EXTERNAL USE Eisai R&D Management Co., Ltd. (JP) 2010-06-30 EP disclosed
EP-2189450-A1 METHOD FOR PRODUCING QUINAZOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-05-26 EP 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 (2 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-20110152521-A1 Method for Producing Quinazoline Derivative HNMT, AZI2, GNMT HDAC3 1988/4885HDAC1 1811/4885HDAC2 1434/4885
US-20110021545-A1 NOVEL PREPARATION FOR EXTERNAL USE SLC26A4, SLC6A15, SLC6A19 HDAC3 2422/4885HDAC1 1344/4885HDAC2 1635/4885

“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.