Sugi Predict

Sugi Predict / Compounds / SCHEMBL728450

SCHEMBL728450

SCHEMBL728450

CCOC(=O)c1c(C)c(C)nn1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ USP2 O75604 1/20 0.44
▸ MAPK1 P28482 3/20 0.43
▸ CYP1A2 P05177 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 5/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ CYP2D6 P10635 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ POLB P06746 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
SCHEMBL28174776 0.87 LMNA (0.44) KMT2AALDH1A1L3MBTL1MAPK1CYP1A2
SCHEMBL20944211 0.84 KMT2A (0.49) KMT2AALDH1A1L3MBTL1USP2MAPK1
SCHEMBL9208273 0.84 ALDH1A1 (0.46) KMT2AALDH1A1L3MBTL1USP2MAPK1
SCHEMBL9430452 0.82 ALDH1A1 (0.44) KMT2AALDH1A1L3MBTL1USP2MAPK1
SCHEMBL8310828 0.82 KDM4E (0.58) KMT2AALDH1A1L3MBTL1MAPK1KDM4E
SCHEMBL1431561 0.82 ALDH1A1 (0.46) KMT2AALDH1A1L3MBTL1USP2MAPK1
SCHEMBL11275010 0.82 ALDH1A1 (0.47) KMT2AALDH1A1L3MBTL1MAPK1CYP1A2
SCHEMBL31467458 0.82 ALDH1A1 (0.44) KMT2AALDH1A1L3MBTL1USP2MAPK1
SCHEMBL3802831 0.82 KMT2A (0.47) KMT2AALDH1A1L3MBTL1USP2MAPK1
SCHEMBL729060 0.81 L3MBTL1 (0.46) KMT2AALDH1A1L3MBTL1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478387-B Synthesis method of 1,3, 4-trimethyl-1H-pyrazole-5-carboxylic acid ethyl ester compound 中国科学院大连化学物理研究所 2023-08-15 — — CN claimed
CN-114478387-A Synthetic method of 1,3, 4-trimethyl-1H-pyrazole-5-carboxylic acid ethyl ester compound 中国科学院大连化学物理研究所 2022-05-13 — — CN claimed
CN-107216288-A A kind of preparation method of Tolfenpyrad impurity 湖南大学 2017-09-29 — — CN claimed
WO-2025049827-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING PYRAZOLE DERIVATIVES OSMO LABS, PBC (US) 2025-03-06 — — WO disclosed
WO-2025022637-A1 METHOD FOR PRODUCING CYCLIZED PRODUCT BY CYCLIZATION REACTION INVOLVING DEHYDRATION CONDENSATION OF CARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING 1,3,4-SUBSTITUTED-PYRAZOLE-5-CARBOXYLIC ACID ESTER 株式会社日本ファインケム 2025-01-30 — — WO disclosed
CN-114621280-B Silicon acrylonitrile compound and preparation method and application thereof 华东理工大学 2024-10-25 — — CN disclosed
CN-117986190-B Method for synthesizing ethyl trimethylpyrazole 德州新势立精细化工有限公司 2024-06-18 — — CN disclosed
CN-117986190-A Method for synthesizing ethyl trimethylpyrazole 德州新势立精细化工有限公司 2024-05-07 — — CN disclosed
CN-114369063-B Pyrazolyl acrylonitrile compound and preparation method and application thereof 沈阳农业大学 2023-09-26 — — CN disclosed
CN-114478387-B Synthesis method of 1,3, 4-trimethyl-1H-pyrazole-5-carboxylic acid ethyl ester compound 中国科学院大连化学物理研究所 2023-08-15 — — CN disclosed
CN-114478387-B Synthesis method of 1,3, 4-trimethyl-1H-pyrazole-5-carboxylic acid ethyl ester compound 中国科学院大连化学物理研究所 2023-08-15 — — CN disclosed
US-8324420-B2 Process for producing acrylonitrile compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-04 — — US disclosed
US-8138368-B2 Process for producing acrylonitrile compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-20 — — US disclosed
US-20110313173-A1 Process for producing acrylonitrile compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-12-22 — — US disclosed
US-20110015065-A1 Substituted Sulfonic Acid Amide Compounds BASF SE (DE) 2011-01-20 — — US disclosed
EP-2252590-A1 SUBSTITUTED SULFONIC ACID AMIDE COMPOUNDS BASF SE (DE) 2010-11-24 — — EP disclosed
US-20100029951-A1 Process for producing acrylonitrile compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-02-04 — — US disclosed
US-7649104-B2 producing 3-acyloxyacrylonitrile compound as an agricultural and horticultural pesticide; using the produced 3-oxopropionitrile compound as the intermediate NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-19 — — US disclosed
WO-2009101082-A1 SUBSTITUTED SULFONIC ACID AMIDE COMPOUNDS BASF SE (DE) 2009-08-20 — — WO disclosed
US-20060178523-A1 Process for producing acrylonitrile compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-08-10 — — 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 (4 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-20110015065-A1 Substituted Sulfonic Acid Amide Compounds STS, NAPA, NAAA KMT2A 1456/4885ALDH1A1 2768/4885L3MBTL1 4712/4885
US-20060178523-A1 Process for producing acrylonitrile compound ZYX, ACR, ZDHHC9 KMT2A 2320/4885ALDH1A1 127/4885L3MBTL1 3926/4885
US-20110313173-A1 Process for producing acrylonitrile compound ZYX, ACR, ZDHHC9 KMT2A 2320/4885ALDH1A1 127/4885L3MBTL1 3926/4885
US-20100029951-A1 Process for producing acrylonitrile compound ZYX, ACR, ZDHHC9 KMT2A 2320/4885ALDH1A1 127/4885L3MBTL1 3926/4885

“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.