SCHEMBL526026

SCHEMBL526026

COc1ccc(NC(N)=S)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
HPGD P15428 3/20 0.70
CYP2C19 P33261 2/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
ALOX12 P18054 1/20 0.70
CYP1A2 P05177 1/20 0.61
MAOA P21397 2/20 0.59
MAOB P27338 2/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
MAPT P10636 3/20 0.56
GAA P10253 3/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL20536958 0.94 ALDH1A1 (0.81) ALDH1A1HPGDCYP2C19CYP3A4CYP2D6
SCHEMBL6979345 0.89 ALDH1A1 (0.58) ALDH1A1HPGDCYP2C19CYP3A4CYP2D6
SCHEMBL9725063 0.86 HPGD (0.61) ALDH1A1HPGDCYP2C19CYP3A4CYP2D6
SCHEMBL9382061 0.85 KMT2A (0.66) ALDH1A1CYP3A4CYP2C9SMN1; SMN2NPC1
SCHEMBL13715007 0.85 HPGD (0.66) ALDH1A1HPGDCYP2C19CYP3A4CYP2C9
SCHEMBL12904023 0.83 PPIA (0.70) ALDH1A1ALOX12SMN1; SMN2MAPTGAA
SCHEMBL8167087 0.83 CYP1A2 (0.85) ALDH1A1HPGDCYP2C19CYP1A2MAOA
SCHEMBL8977748 0.82 CYP1A2 (0.61) ALDH1A1HPGDCYP2C19CYP3A4CYP2C9
SCHEMBL29484162 0.82 MAPK1 (0.62) ALDH1A1HPGDCYP2C19CYP1A2MAOA
SCHEMBL11318284 0.82 HPGD (0.53) ALDH1A1HPGDCYP2C19CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113906321-B Polarizing plate, method for manufacturing same, and image display device 住友化学株式会社 2024-10-15 CN claimed
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US claimed
CN-115449136-B Accelerator composition of rubber nanocomposite as well as preparation method and application thereof 浙江大学 2024-02-27 CN claimed
CN-117285676-A Acrylamide comb polymer, preparation method thereof, movable gel and application 中国石油化工股份有限公司 2023-12-26 CN claimed
CN-115677917-A Acrylamide copolymer and preparation method and application thereof 中国石油化工股份有限公司 2023-02-03 CN claimed
CN-115677920-A High-temperature-resistant salt-resistant polyacrylamide, and preparation method and application thereof 中国石油化工股份有限公司 2023-02-03 CN claimed
CN-115677919-A Acrylamide polymer and preparation method and application thereof 中国石油化工股份有限公司 2023-02-03 CN claimed
CN-115677918-A Terpolymer and preparation method and application thereof 中国石油化工股份有限公司 2023-02-03 CN claimed
CN-115449136-A Accelerator composition of rubber nanocomposite and preparation method and application thereof 浙江大学 2022-12-09 CN claimed
CN-114395326-A Super-hydrophobic heat-resistant coating for aluminum alloy and preparation method thereof 严平 2022-04-26 CN claimed
WO-2007136592-A2 2-0X0-L,2-DIHYDR0QUIN0LINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS AMPHORA DISCOVERY CORPORATION (US) 2007-11-29 WO claimed
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 US claimed
CN-1752750-A Reagent for detecting mercury ion in water and its preparation method UNIV XIAMEN (CN) 2006-03-29 CN claimed
EP-1604653-A1 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP claimed
CN-1572299-A Medicine for improving excretion capacity of bladder TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-02-02 CN claimed
US-20040116457-A1 Agents for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US claimed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US claimed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP claimed
EP-0075047-A1 1-(Substituted phenylthiocarbamyl) 3,3-disubstituted formamidines and their production and pharmaceutical compositions containing them STAUFFER CHEMICAL COMPANY (US) 1983-03-30 EP claimed
US-3998894-A DIMERIZATION AND CYCLIZATION OF A STYRENE AND A HAL GENO-STYRENE BASF AKTIENGESELLSCHAFT (DT) 1976-12-21 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 (3 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-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE ALDH1A1 1185/4885HPGD 716/4885CYP2C19 1471/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ALDH1A1 1245/4885HPGD 987/4885CYP2C19 1337/4885
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 ALDH1A1 233/4885HPGD 218/4885CYP2C19 202/4885

“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.