SCHEMBL3459786

SCHEMBL3459786

C(=NCCN1CCOCC1)=NC1CCCCC1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.65

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.65
CYP2C9 P11712 1/20 0.57
ALDH1A1 P00352 8/20 0.42
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.39
LMNA P02545 3/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
CYP2D6 P10635 1/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37

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
P-Xylene SCHEMBL3752326 0.95 CYP1A2 (0.70) CYP1A2CYP2C9ALDH1A1TP53GLA
SCHEMBL335423 0.90 CYP1A2 (0.63) CYP1A2CYP2C9ALDH1A1LMNAHPGD
SCHEMBL335424 0.89 CYP1A2 (0.61) CYP1A2CYP2C9ALDH1A1GLAMAPK1
SCHEMBL9806106 0.89 CYP1A2 (0.61) CYP1A2CYP2C9ALDH1A1TP53GLA
SCHEMBL9194077 0.89 CYP1A2 (0.61) CYP1A2CYP2C9ALDH1A1TP53GLA
SCHEMBL10387619 0.89 CYP1A2 (0.61) CYP1A2CYP2C9ALDH1A1TP53GLA
SCHEMBL31278334 0.88 CYP1A2 (0.59) CYP1A2CYP2C9ALDH1A1LMNAKMT2A
SCHEMBL9436866 0.88 CYP1A2 (0.59) CYP1A2CYP2C9ALDH1A1MAPK1HPGD
SCHEMBL335422 0.88 CYP1A2 (0.59) CYP1A2CYP2C9ALDH1A1LMNAKMT2A
SCHEMBL7799784 0.88 CYP2C9 (0.51) CYP1A2CYP2C9ALDH1A1NPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115876931-B Method for quantitatively detecting inosine in RNA with high sensitivity 武汉大学 2025-01-21 CN claimed
US-12195788-B2 High-throughput and single nucleotide resolution techniques for the determination of RNA post-transcriptional modifications UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2025-01-14 US claimed
US-12084417-B2 Synthesis of N,N-dimethyltryptamine-type compounds, methods, and uses CYBIN UK LTD (GB) 2024-09-10 US claimed
CN-117214114-B Method for detecting concentration of trimethylamine 上海国齐检测技术有限公司 2024-04-02 CN claimed
CN-117214114-A Method for detecting concentration of trimethylamine 上海国齐检测技术有限公司 2023-12-12 CN claimed
EP-4271997-A1 METALLOENZYMES FOR BIOMOLECULAR RECOGNITION OF N-TERMINAL MODIFIED PEPTIDES Encodia, Inc. (US) 2023-11-08 EP claimed
CN-116764601-A Amino polycarboxylic acid compound modified magnetic chitosan microsphere adsorbent, and preparation method and application thereof 武汉轻工大学 2023-09-19 CN claimed
US-20230250059-A1 SYNTHESIS OF N,N-DIMETHYLTRYPTAMINE-TYPE COMPOUNDS, METHODS, AND USES SMALL PHARMA LTD (GB) 2023-08-10 US claimed
CN-116286690-A Separation and purification method of tryptophan side group oxidase 湖北万德瑞生命科学技术有限公司 2023-06-23 CN claimed
US-11643390-B2 Synthesis of N,N-dimethyltryptamine-type compounds, methods, and uses SMALL PHARMA LTD (GB) 2023-05-09 US claimed
CN-115876931-A Method for high-sensitivity quantitative detection of inosine in RNA 武汉大学 2023-03-31 CN claimed
US-20220283175-A1 METALLOENZYMES FOR BIOMOLECULAR RECOGNITION OF N-TERMINAL MODIFIED PEPTIDES Encodia, Inc. (US) 2022-09-08 US claimed
US-20220267838-A1 Sensitive and Accurate Genome-wide Profiling of RNA Structure In Vivo THE PENN STATE RESEARCH FOUNDATION 2022-08-25 US claimed
WO-2022147334-A1 METALLOENZYMES FOR BIOMOLECULAR RECOGNITION OF N-TERMINAL MODIFIED PEPTIDES Encodia, Inc. (US) 2022-07-07 WO claimed
CN-114457460-A Preparation method of chitosan modified alginic acid fiber 苏州雷池新材料科技有限公司 2022-05-10 CN claimed
CN-108333347-B Antinuclear antibody target antigen conjugate reagent, preparation method thereof, kit containing antinuclear antibody target antigen conjugate reagent and application of antinuclear antibody target antigen conjugate reagent 深圳市新产业生物医学工程股份有限公司 2020-09-25 CN claimed
CN-106892893-B Method for preparing lactide from lactic acid oligomer 中国科学院长春应用化学研究所 2020-09-25 CN claimed
CN-108333358-B Method for screening immunoaffinity purification eluent 深圳市新产业生物医学工程股份有限公司 2020-05-01 CN claimed
US-4275159-A IMMOBILIZATION PROJEKTIERUNG CHEMISCHE VERFAHRENSTECHNIK GMBH (DE) 1981-06-23 US claimed
US-4200692-A Process for the production of xylose by enzymatic hydrolysis of xylan PROJEKTIERUNG CHEMISCHE VERFAHRENSTECHNIK GMBH (DE) 1980-04-29 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-20230250059-A1 SYNTHESIS OF N,N-DIMETHYLTRYPTAMINE-TYPE COMPOUNDS, METHODS, AND USES TPH2, TPH1, HTR2C CYP1A2 171/4885CYP2C9 193/4885ALDH1A1 1873/4885
US-11643390-B2 Synthesis of N,N-dimethyltryptamine-type compounds, methods, and uses TPH2, TPH1, HTR2C CYP1A2 171/4885CYP2C9 193/4885ALDH1A1 1873/4885
US-12084417-B2 Synthesis of N,N-dimethyltryptamine-type compounds, methods, and uses TPH2, TPH1, HTR2C CYP1A2 171/4885CYP2C9 193/4885ALDH1A1 1873/4885

“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.