SCHEMBL447260

SCHEMBL447260

O=C1N=NC(=O)N1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 1.00
MGLL Q99685 2/20 0.54
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
ELANE P08246 1/20 0.43
CES2 O00748 1/20 0.43
BCHE P06276 1/20 0.43
CES1 P23141 1/20 0.43
HPGD P15428 1/20 0.42
GRK5 P34947 1/20 0.42
TYRO3 Q06418 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
FAAH O00519 1/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
Acetic Acid SCHEMBL28988835 0.89 GAA (0.79) GAAMGLLALDH1A1MEN1KMT2A
Acetonitrile SCHEMBL29027185 0.87 GAA (0.76) GAAMGLLALDH1A1MEN1KMT2A
SCHEMBL12631667 0.84 GAA (0.72) GAAMGLLALDH1A1MEN1KMT2A
SCHEMBL10919078 0.84 GAA (0.73) GAAMGLLALDH1A1MEN1KMT2A
Ethyl Acetate SCHEMBL30834713 0.77 GAA (0.59) GAAALDH1A1NPSR1HPGDNPC1
SCHEMBL11369341 0.75 GAA (0.60) GAAMGLLALDH1A1MEN1KMT2A
SCHEMBL12631701 0.75 ELANE (0.62) GAAMGLLALDH1A1ELANENPC1
SCHEMBL13827444 0.75 GAA (0.60) GAAMGLLALDH1A1MEN1KMT2A
SCHEMBL28943161 0.75 GAA (0.60) GAAMGLLELANEBCHEFAAH
SCHEMBL14199135 0.75 GAA (0.60) GAAMGLLALDH1A1MEN1KMT2A

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 1078 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260140108-A1 EXTRACTION ROD AND PREPARATION METHOD THEREOF, AND METHOD FOR DETECTING 25-HYDROXYVITAMIN D INNOVATION CENTER OF YANGTZE RIVER DELTA ZJU (CN) 2026-05-21 US claimed
US-12607640-B2 Mass spectrometry of steroidal compounds in multiplex samples QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2026-04-21 US claimed
EP-4257428-B1 HABITABLE MOTOR VEHICLE WITH FIVE SITTING PLACES PROVIDED WITH A TABLE TRIGANO VAN (IT) 2026-04-01 EP claimed
EP-4609204-A1 NANOPORE-BASED ANALYSIS OF PROTEINS RIJKSUNIVERSITEIT GRONINGEN (NL) 2025-09-03 EP claimed
EP-4256347-B1 DETECTION OF AN ANALYTE OF INTEREST BY CROSS SPRAY ESI MASS SPECTROMETRY HOFFMANN LA ROCHE (CH) 2025-07-16 EP claimed
US-20250216404-A1 VITAMIN D METABOLITE DETERMINATION UTILIZING MASS SPECTROMETRY FOLLOWING DERIVATIZATION QUEST DIAGNOSTICS INVEST LLC (US) 2025-07-03 US claimed
CN-120009442-A Method for quantitatively detecting derivatized vitamin E by high performance liquid chromatography-tandem mass spectrometry and application thereof 山东英盛生物技术有限公司 2025-05-16 CN claimed
CN-119989456-A Vehicle-bridge parameter synchronous inversion identification method based on depth time sequence model 东南大学 2025-05-13 CN claimed
CN-119470730-B Preservation reagent, preservation method and detection method for fat-soluble vitamins D2, D3 and A, E in peripheral blood 江苏硕世生物科技股份有限公司 2025-04-29 CN claimed
CN-119881180-A Vitamin D mass spectrum detection method based on antibody immune enrichment technology 浙江大学长三角智慧绿洲创新中心 2025-04-25 CN claimed
EP-0338425-A1 Modified polyphenylene ethers BASF Aktiengesellschaft (DE) 1989-10-25 EP claimed
EP-0337305-A1 Process for the preparation of 1-alpha,25-dihydroxy-vitamin D2 and the 24-epimer thereof NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-10-18 EP claimed
US-4758383-A Ergosta-1,5,7,22-tetraen-3β-ol and its use as an intermediate for 1α-hydroxy vitamin D2 NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-07-19 US claimed
EP-0270867-A1 Steroid derivatives and processes of preparing same NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-06-15 EP claimed
EP-0070588-B1 METHOD OF PREPARING 1-ALPHA-HYDROXYVITAMIN D AND 1-ALPHA-HYDROXY-PREVITAMIN D COMPOUNDS, AND ADDUCT OF A PREVITAMIN D OR TACHYSTEROL COMPOUND WITH A SUITABLE DIENOPHILE DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1986-05-07 EP claimed
US-4539153-A Method of preparing 1 α-hydroxyvitamin D and 1 α-hydroxyprevitamin D compounds, and adducts of a previtamin D or tachysterol compound with a suitable dienophile DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1985-09-03 US claimed
EP-0070588-A1 Method of preparing 1-alpha-hydroxyvitamin D and 1-alpha-hydroxy-previtamin D compounds, and adduct of a previtamin D or tachysterol compound with a suitable dienophile DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1983-01-26 EP claimed
US-4217288-A Anti-vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1980-08-12 US claimed
US-4105660-A Preparation of 3β-hydroxy-27-norcholest-5,7-dien-25-one MERCK & CO., INC. (US) 1978-08-08 US claimed
US-4088645-A O,O-Dialkylphosphoryloxy-2,3,5,8-tetrahydro-1H-s-triazolo[1,2a]pyridazine-1,3-diones HOFFMANN-LA ROCHE INC. (US) 1978-05-09 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 (2 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-12607640-B2 Mass spectrometry of steroidal compounds in multiplex samples CYP24A1, CYP2R1, SRD5A1 GAA 4777/4885MGLL 3707/4885ALDH1A1 1445/4885
US-20260140108-A1 EXTRACTION ROD AND PREPARATION METHOD THEREOF, AND METHOD FOR DETECTING 25-HYDROXYVITAMIN D VDR, CYP24A1, GC GAA 2683/4885MGLL 4540/4885ALDH1A1 2724/4885

“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.