SCHEMBL155299

SCHEMBL155299

C=CNC(=O)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.62
HDAC6 Q9UBN7 1/20 0.62
THRB P10828 1/20 0.57
LMNA P02545 1/20 0.57
HIF1A Q16665 1/20 0.57
ROCK2 O75116 1/20 0.56
ROCK1 Q13464 1/20 0.56
GAA P10253 3/20 0.54
ALDH1A1 P00352 3/20 0.53
APP P05067 1/20 0.53
HCAR3 P49019 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
FTO Q9C0B1 1/20 0.53
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
SARM1 Q6SZW1 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52

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
SCHEMBL3247811 0.84 HDAC1 (0.65) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL2998853 0.83 HDAC1 (0.59) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL3248999 0.82 HDAC1 (0.62) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL2224455 0.79 HDAC1 (0.69) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL7530416 0.79 HDAC1 (0.59) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL2000041 0.79 HDAC1 (0.74) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL5361880 0.79 HDAC1 (0.74) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL997166 0.78 GAA (0.72) HDAC1HDAC6THRBLMNAHIF1A
Nicoxamat SCHEMBL93839 0.77 HDAC1 (1.00) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL28954991 0.77 SMN1; SMN2 (0.59) HDAC1HDAC6GAAALDH1A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117026626-A Carbon fiber core copper wire and preparation method thereof 江苏集萃碳纤维及复合材料应用技术研究院有限公司 2023-11-10 CN claimed
CN-115142148-B High-performance binary polyacrylonitrile-based carbon fiber precursor and preparation method thereof 东华大学 2023-03-21 CN claimed
CN-115142148-A High-performance binary polyacrylonitrile-based carbon fiber precursor and preparation method thereof 东华大学 2022-10-04 CN claimed
US-10125118-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2018-11-13 US claimed
US-20170355690-A9 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2017-12-14 US claimed
US-20170066742-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO LTD (KR) 2017-03-09 US claimed
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2025-01-14 US disclosed
CN-117026626-A Carbon fiber core copper wire and preparation method thereof 江苏集萃碳纤维及复合材料应用技术研究院有限公司 2023-11-10 CN disclosed
CN-117026626-A Carbon fiber core copper wire and preparation method thereof 江苏集萃碳纤维及复合材料应用技术研究院有限公司 2023-11-10 CN disclosed
CN-115142148-B High-performance binary polyacrylonitrile-based carbon fiber precursor and preparation method thereof 东华大学 2023-03-21 CN disclosed
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2023-01-05 US disclosed
CN-115142148-A High-performance binary polyacrylonitrile-based carbon fiber precursor and preparation method thereof 东华大学 2022-10-04 CN disclosed
WO-2021080330-A1 NICOTINAMIDE COMPOUND AND HERBICIDAL COMPOSITION COMPRISING COMPOUND 한국화학연구원 2021-04-29 WO disclosed
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-8604032-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
EP-2571357-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION Intellikine, Inc. (US) 2013-03-27 EP disclosed
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
WO-2013012918-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 WO disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
WO-2011146882-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INTELLIKINE, INC. (US) 2011-11-24 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 (8 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-20170355690-A9 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC HDAC1 1535/4885HDAC6 1117/4885THRB 733/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA HDAC1 620/4885HDAC6 854/4885THRB 2404/4885
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC HDAC1 1535/4885HDAC6 1117/4885THRB 733/4885
US-10125118-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC HDAC1 1535/4885HDAC6 1117/4885THRB 733/4885
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA HDAC1 620/4885HDAC6 854/4885THRB 2404/4885
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC HDAC1 1535/4885HDAC6 1117/4885THRB 733/4885
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HDAC1 440/4885HDAC6 340/4885THRB 2231/4885
US-20170066742-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC HDAC1 1535/4885HDAC6 1117/4885THRB 733/4885

“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.