SCHEMBL1745778

SCHEMBL1745778

NC(=O)c1cnc(O)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 7/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
SIRT4 Q9Y6E7 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PARP1 P09874 2/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3407188 0.83 NNMT (0.56) NNMTSMN1; SMN2L3MBTL1KDM4EF7
SCHEMBL3141529 0.79 NNMT (0.58) NNMTSMN1; SMN2L3MBTL1KDM4EF7
SCHEMBL669121 0.79 NNMT (0.52) NNMTSMN1; SMN2L3MBTL1KDM4EF7
SCHEMBL1968189 0.77 NNMT (0.50) NNMTSMN1; SMN2L3MBTL1KDM4EF7
SCHEMBL23193160 0.77 NNMT (0.50) NNMTSMN1; SMN2L3MBTL1KDM4EF7
SCHEMBL5790116 0.77 NNMT (0.45) NNMTSMN1; SMN2L3MBTL1KDM4EF7
SCHEMBL185448 0.76 ALDH1A1 (0.54) SMN1; SMN2KDM4ETSHRPOLBMAPT
SCHEMBL3407187 0.75 NNMT (0.48) NNMTSMN1; SMN2L3MBTL1KDM4EF7
SCHEMBL13160131 0.74 CA5A (0.44) SMN1; SMN2L3MBTL1KDM4EMAPTHSD17B10
SCHEMBL447959 0.73 NNMT (0.63) NNMTSMN1; SMN2L3MBTL1KDM4EF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153636-A Cyclopropyl-amide compound as dual LSD1/HDAC inhibitor 朱比连特比利斯有限公司 2019-01-04 CN claimed
WO-2012117421-A1 HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD (IN) 2012-09-07 WO claimed
WO-2011083495-A2 PROCESS FOR THE PREPARATION OF DIHYDROXY PROTECTED DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS MSN LABORATORIES LIMITED (IN) 2011-07-14 WO claimed
CN-108997224-B Preparation method of 2-chloro-5-cyano nitrogen-containing six-membered heterocyclic compound 韶远科技(上海)有限公司 2023-04-28 CN disclosed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
WO-2021066136-A1 THERAPEUTIC AGENT FOR MUSCULAR DYSTROPHY 国立大学法人東京大学 2021-04-08 WO disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
CN-109942564-A A kind of histon deacetylase (HDAC) inhibitor and its preparation method and application 四川大学华西医院 2019-06-28 CN disclosed
CN-109923117-A Use the combination therapy of the phosphoinositide 3-kinase inhibitor with zinc bound fraction 柯瑞斯公司 2019-06-21 CN disclosed
CN-109715173-A HDAC inhibitors for use in NK cell based therapies 维拉克塔治疗公司 2019-05-03 CN disclosed
US-8399452-B2 Anticancer agents; antiproliferative agenst; antiprotozoa agents METHYLGENE INC. (CA) 2013-03-19 US disclosed
CN-102970868-A Treatment of cancers having K-RAS mutations CURIS INC 2013-03-13 CN disclosed
EP-2557923-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS Curis, Inc. (US) 2013-02-20 EP disclosed
EP-2385832-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY Curis, Inc. (US) 2011-11-16 EP disclosed
WO-2011130628-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. (US) 2011-10-20 WO disclosed
US-8040979-B2 Generating a phase value for a complex signal INFINEON TECHNOLOGIES AG (DE) 2011-10-18 US disclosed
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-08-11 US disclosed
WO-2011083495-A2 PROCESS FOR THE PREPARATION OF DIHYDROXY PROTECTED DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS MSN LABORATORIES LIMITED (IN) 2011-07-14 WO disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 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-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 NNMT 238/4885SMN1; SMN2 4142/4885L3MBTL1 257/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 NNMT 2084/4885SMN1; SMN2 249/4885L3MBTL1 659/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 NNMT 1824/4885SMN1; SMN2 191/4885L3MBTL1 443/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 NNMT 2154/4885SMN1; SMN2 263/4885L3MBTL1 656/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 NNMT 238/4885SMN1; SMN2 4142/4885L3MBTL1 257/4885

“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.