SCHEMBL4082004

SCHEMBL4082004

O=C(NOC1CCCCO1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.49
GSTM2 P28161 1/20 0.49
HPGD P15428 1/20 0.49
P2RX3 P56373 1/20 0.48
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
ALOX12 P18054 1/20 0.43
SLC6A3 Q01959 2/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
CDK5 Q00535 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
SCHEMBL5020592 0.92 P2RX3 (0.51) GSTP1GSTM2HPGDP2RX3ALDH1A1
SCHEMBL23500769 0.90 MEN1 (0.54) GSTP1GSTM2HPGDP2RX3KMT2A
SCHEMBL29837066 0.89 MEN1 (0.45) GSTP1GSTM2HPGDP2RX3ALDH1A1
SCHEMBL23500622 0.89 MEN1 (0.45) GSTP1GSTM2HPGDP2RX3ALDH1A1
SCHEMBL21471527 0.87 GSTP1 (0.51) GSTP1GSTM2HPGDP2RX3ALDH1A1
SCHEMBL28409562 0.87 GSTP1 (0.51) GSTP1GSTM2HPGDP2RX3ALDH1A1
SCHEMBL5020595 0.86 HDAC1 (0.48) GSTP1GSTM2P2RX3KMT2AMEN1
SCHEMBL25197301 0.86 P2RX3 (0.49) GSTP1GSTM2HPGDP2RX3ALDH1A1
SCHEMBL5020588 0.86 P2RX3 (0.49) GSTP1GSTM2HPGDP2RX3ALDH1A1
SCHEMBL5020590 0.86 P2RX3 (0.45) GSTP1GSTM2HPGDP2RX3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020242245-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF 에스티팜 주식회사 2020-12-03 WO claimed
US-20250320203-A1 4-(3H-PYRAZOLO[4,3-F]QUINOLIN-7-YL)-N-(2-(DIMETHYLAMINO)ETHYL)BENZAMIDE- OR HYDROXAMIC ACID COMPOUNDS, COMPOSITIONS, AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2025-10-16 US disclosed
CN-119278034-A Selective histone deacetylase 8 (HDAC 8) degradants and methods of use thereof 丹娜-法伯癌症研究院 2025-01-07 CN disclosed
CN-113660932-B Phenyl derivatives having pendant alkyl and alkenyl extensions and pharmaceutical compositions comprising the same 景凯生物科技股份有限公司 2024-07-12 CN disclosed
CN-114685496-B Hydroxamic acid based HDAC6 inhibitor synthesis and uses thereof 广东晨康生物科技有限公司 2024-06-21 CN disclosed
CN-117384124-A HDAC inhibitors, compositions and uses thereof 安徽中医药大学 2024-01-12 CN disclosed
CN-116947763-A 2-mercapto-5-cyano-6-aryl pyrimidine heterocyclic compound, preparation method and application 郑州大学 2023-10-27 CN 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
US-20220235011-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF ST PHARM CO., LTD. (KR) 2022-07-28 US disclosed
CN-114685496-A Synthesis and application of hydroxamic acid based HDAC6 inhibitor 佛山市晨康生物科技有限公司 2022-07-01 CN disclosed
CN-109476605-B benzo-N-hydroxyamide compounds with antitumor activity 意大发马克股份公司 2022-05-31 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
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 EP disclosed
US-7169816-B2 4-bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
US-20060052608-A1 4-bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors WARNER-LAMBERT COMPANY LLC 2006-03-09 US disclosed
US-20050049429-A1 4-Bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors BARRETT STEPHEN DOUGLAS (US) 2005-03-03 US disclosed
US-6821963-B2 PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES INHIBIT CERTAIN DUAL SPECIFICITY KINASE ENZYMES INVOLVED IN PROLIFERATIVE DISEASES SUCH AS CANCER, PSORIASIS AND RESTENOSIS; INHIBIT THE PHOSPHORYLATION OF MAP KINASE BY MEK WARNER-LAMBERT COMPANY 2004-11-23 US disclosed
US-4757078-A Antiinflammatory agents, psoriasis E. R. SQUIBB & SONS, INC. (US) 1988-07-12 US 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-20060052608-A1 4-bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors BRAF, MAPK1, MAPK4 GSTP1 4046/4885GSTM2 4285/4885HPGD 373/4885
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 GSTP1 3036/4885GSTM2 2761/4885HPGD 2275/4885
US-20050049429-A1 4-Bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors BRAF, MAPK1, MAPK4 GSTP1 4046/4885GSTM2 4285/4885HPGD 373/4885
US-20220235011-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF SIRT6, SIRT1, SIRT2 GSTP1 3013/4885GSTM2 3296/4885HPGD 741/4885
US-20250320203-A1 4-(3H-PYRAZOLO[4,3-F]QUINOLIN-7-YL)-N-(2-(DIMETHYLAMINO)ETHYL)BENZAMIDE- OR HYDROXAMIC ACID COMPOUNDS, COMPOSITIONS, AND METHODS OF USE PHKG1, PHKG2, MAP4K2 GSTP1 3852/4885GSTM2 1994/4885HPGD 762/4885

“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.