SCHEMBL9789

SCHEMBL9789

CCCC(=O)NOC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
EPHX2 P34913 1/20 0.36
HPGD P15428 1/20 0.36
CTSD P07339 1/20 0.36
TGFBR1 P36897 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX3 P56373 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL20764812 1.00 ALDH1A1 (0.39) ALDH1A1CCNA2CDK2CCNA1CDK5
SCHEMBL16569372 1.00 ALDH1A1 (0.39) ALDH1A1CCNA2CDK2CCNA1CDK5
SCHEMBL29397580 0.91 USP2 (0.38) ALDH1A1CCNA2CDK2CCNA1CDK5
SCHEMBL29400724 0.90 NAAA (0.41) HPGDMEN1KMT2A
SCHEMBL10704937 0.88 NAAA (0.43) HPGDMEN1KMT2A
SCHEMBL29401397 0.88 NAAA (0.43) HPGDMEN1KMT2A
SCHEMBL29870434 0.88 NAAA (0.43) HPGDMEN1KMT2A
SCHEMBL30940157 0.87 CCNA2 (0.38) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL7416680 0.86 CCNA2 (0.39) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL31051154 0.85 TSHR (0.38) ALDH1A1CCNA2CDK2CCNA1CDK5

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099433-A1 COMPOSITION AND METHOD FOR TREATMENT OF GRAM NEGATIVE BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2025-03-27 US disclosed
CN-112074507-B Compounds as Antibiotics 山东亨利医药科技有限责任公司 2023-09-05 CN disclosed
WO-2023015236-A2 COMPOSITION AND METHOD FOR TREATMENT OF GRAM NEGATIVE BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-02-09 WO disclosed
CN-112920167-B Double-target inhibitor targeting FGFR and HDAC, preparation method and application thereof, pharmaceutical composition and medicament 四川大学华西医院 2022-08-26 CN disclosed
WO-2022037365-A1 DOUBLE-TARGET INHIBITOR TARGETING FGFR AND HDAC, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF, PHARMACEUTICAL COMPOSITION AND MEDICAMENT 四川大学华西医院 2022-02-24 WO disclosed
WO-2019038362-A1 ANTIBACTERIAL PYRROLOIMIDAZOLONES IDORSIA PHARMACEUTICALS LTD (CH) 2019-02-28 WO disclosed
EP-3386950-A1 SUBSTITUTED BENZAZINONES AS ANTIBACTERIAL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-10-17 EP disclosed
WO-2017098440-A1 SUBSTITUTED BENZAZINONES AS ANTIBACTERIAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-15 WO disclosed
EP-3143007-A1 ANTIBACTERIAL QUINAZOLINE-4(3H)-ONE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2017-03-22 EP disclosed
EP-3044211-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2016-07-20 EP disclosed
EP-2961741-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES Fundacion para la Investigacion Medica Aplicada (ES) 2016-01-06 EP disclosed
WO-2015173329-A1 ANTIBACTERIAL QUINAZOLINE-4(3H)-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-11-19 WO disclosed
WO-2015036964-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-03-19 WO disclosed
WO-2014131855-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2014-09-04 WO disclosed
EP-2512474-A1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-10-24 EP disclosed
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
WO-2011073845-A1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-06-23 WO disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 WO disclosed
EP-0977745-A1 THIOARYL SULFONAMIDE HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 2000-02-09 EP disclosed
WO-1998039313-A1 THIOARYL SULFONAMIDE HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 1998-09-11 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 (1 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-20250099433-A1 COMPOSITION AND METHOD FOR TREATMENT OF GRAM NEGATIVE BACTERIAL INFECTION NR1H3, NR1H4, NR1H2 ALDH1A1 4474/4885CCNA2 3423/4885CDK2 3083/4885

“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.