SCHEMBL609951

SCHEMBL609951

Nc1nc2ncc(CNC3=CCC(C(=O)O)C=C3)nc2c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ TYMS P04818 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ NOS1 P29475 8/20 0.46
▸ ADORA3 P0DMS8 1/20 0.40
▸ DHFR P00374 2/20 0.38

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
SCHEMBL16058737 1.00 AKR1B1 (0.49) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
Pyrophosphoric Acid SCHEMBL2178852 0.93 POLB (0.46) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL29619286 0.85 TYMS (0.66) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL5665622 0.85 TYMS (0.66) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL16681740 0.85 AKR1B1 (0.51) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL17811602 0.82 AKR1B1 (0.45) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
Folic Acid SCHEMBL8897352 0.79 TYMS (0.80) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL3980437 0.78 AKR1B1 (0.47) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL7639622 0.76 AKR1B1 (0.46) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
Pteroic Acid SCHEMBL245981 0.75 KDM4E (0.69) AKR1B1HSD17B10KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025124444-A1 USE OF HYDROXYPROLINE AND DERIVATIVE THEREOF, BIOLOGICAL HERBICIDE, BROAD-SPECTRUM HERBICIDE, AND WEED CONTROL METHOD 三亚市国家耐盐碱水稻技术创新中心 2025-06-19 — — WO claimed
CN-120130489-A Application of hydroxyproline and derivatives thereof, biological herbicide, broad-spectrum herbicide and weed control method 三亚市国家耐盐碱水稻技术创新中心 2025-06-13 — — CN claimed
CN-120051271-A Methods for treating infectious diseases 欣扬生医股份有限公司 2025-05-27 — — CN claimed
US-20240130368-A1 HERBICIDAL COMPOSITION NIPPON SODA CO., LTD. (JP) 2024-04-25 — — US claimed
CN-117546851-A Herbicidal compositions containing uracil compounds of carboxylate fragments and uses thereof 江苏中旗科技股份有限公司 2024-02-13 — — CN claimed
EP-4316244-A1 HERBICIDAL COMPOSITION Nippon Soda Co., Ltd. (JP) 2024-02-07 — — EP claimed
CN-116429952-B Depression marker, application thereof in depression diagnosis and evaluation device 深圳市第二人民医院(深圳市转化医学研究院) 2024-02-02 — — CN claimed
CN-117500903-A Yucca schidigera extract for foliar use 金伯利-克拉克环球有限公司 2024-02-02 — — CN claimed
US-11812738-B2 Polynucleotide molecules for gene regulation in plants MONSANTO TECHNOLOGY LLC (US) 2023-11-14 — — US claimed
CN-116867373-A Herbicidal composition 日本曹达株式会社 2023-10-10 — — CN claimed
WO-2011034263-A1 METHOD FOR PREDICTING A DRUG TARGET IN PATHOGENIC MICROORGANISMS USING AN ESSENTIAL METABOLITE 한국과학기술원 (KR) 2011-03-24 — — WO claimed
WO-2011034397-A2 METHOD FOR PREDICTING DRUG TARGETS AND SCREENING FOR DRUGS FOR PATHOGENIC MICROORGANISMS USING ESSENTIAL METABOLITES 한국과학기술원 (KR) 2011-03-24 — — WO claimed
US-20100143911-A1 METHOD FOR SCREENING ESSENTIAL METABOLITES IN GROWTH OF MICROORGANISMS KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 — — US claimed
EP-2097743-A1 METHOD FOR SCREENING ESSENTIAL METABOLITES IN GROWTH OF MICROORGANISMS Korea Advanced Institute of Science and Technology (KR) 2009-09-09 — — EP claimed
WO-2008078911-A1 METHOD FOR SCREENING ESSENTIAL METABOLITES IN GROWTH OF MICROORGANISMS KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-07-03 — — WO claimed
US-20030023386-A1 Metabolome profiling methods using chromatographic and spectroscopic data in pattern recognition analysis BASF AKTIENGESELLSCHAFT (DE) 2003-01-30 — — US claimed
CN-1376198-A Polynucleotide sequences and their use in a method of producing plants with an increased number of stomata ZENECA LTD (GB) 2002-10-23 — — CN claimed
WO-2002057989-A2 METHOD FOR METABOLIC PROFILING BASF AKTIENGESELLSCHAFT (DE) 2002-07-25 — — WO claimed
CN-1240484-A Method for conferring insect resistance to monocot plants using peroxidase coding sequences NOVARTIS AG (CH) 2000-01-05 — — CN claimed
US-5633444-A A GENETICALLY ENGINEERED PLANT CELL RHONE-POULENC AGROCHIMIE LIMITED (FR) 1997-05-27 — — US claimed

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-20240130368-A1 HERBICIDAL COMPOSITION CHRM2, DDT, CHRM1 AKR1B1 3928/4885HSD17B10 3180/4885KDM4E 863/4885

“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.

Send feedback