SCHEMBL17077962

SCHEMBL17077962

[N-]=[N+]=NCCc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.54
▸ ESR2 Q92731 2/20 0.54
▸ MIF P14174 1/20 0.52
▸ CA2 P00918 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ ADRA2A P08913 3/20 0.46
▸ SLC6A2 P23975 3/20 0.46
▸ TAAR1 Q96RJ0 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ BLM P54132 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ LTA4H P09960 1/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL13527823 0.89 CA2 (0.37) ESR1ESR2MIFCA2TAAR1
SCHEMBL14937214 0.88 ESR1 (0.50) ESR1ESR2MIFCA2ALDH1A1
SCHEMBL14270327 0.83 CHKA (0.38) ESR1ESR2MIFCA2HTR3A
SCHEMBL13627733 0.80 TRPA1 (0.47) ESR1ESR2MIFCA2ALDH1A1
SCHEMBL13608766 0.80 CYP1A2 (0.48) CA2ALDH1A1TAAR1KMT2ATDP1
SCHEMBL25332424 0.78 HTR3E (0.52) MIFALDH1A1TAAR1HTR3ASLC6A4
SCHEMBL14270135 0.78 TAAR1 (0.46) MIFTAAR1PTGS1PTGS2
SCHEMBL17591487 0.78 ADRB2 (0.33) MIFCA2HTR3A
SCHEMBL31415834 0.78 GFER (0.54) CA2ALDH1A1TAAR1KMT2ATDP1
SCHEMBL27563852 0.78 TAAR1 (0.46) CA2ALDH1A1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025051247-A1 LABELING METHOD FOR CHARACTERIZING CELL-CELL CONTACT AND USE THEREOF 中国科学院基础医学与肿瘤研究所(筹) 2025-03-13 — — WO claimed
CN-119570724-A Marking method for representing cell-cell contact and application thereof 中国科学院基础医学与肿瘤研究所(筹) 2025-03-07 — — CN claimed
CN-113398284-B Molecular probe for tumor targeted nuclide diagnosis and treatment, preparation method and application 江苏省原子医学研究所 2023-04-14 — — CN claimed
CN-113398284-A Molecular probe for tumor targeted nuclide diagnosis and treatment, preparation method and application 江苏省原子医学研究所 2021-09-17 — — CN claimed
WO-2025051247-A1 LABELING METHOD FOR CHARACTERIZING CELL-CELL CONTACT AND USE THEREOF 中国科学院基础医学与肿瘤研究所(筹) 2025-03-13 — — WO disclosed
CN-119570724-A Marking method for representing cell-cell contact and application thereof 中国科学院基础医学与肿瘤研究所(筹) 2025-03-07 — — CN disclosed
CN-113811540-B Cyclic compounds and methods of making and using the same 港大科桥有限公司 2024-09-24 — — CN disclosed
US-11860167-B2 Application of click chemistry for signal amplification in IHC and ISH assays VENTANA MEDICAL SYSTEMS, INC. (US) 2024-01-02 — — US disclosed
US-11860167-B2 Application of click chemistry for signal amplification in IHC and ISH assays VENTANA MEDICAL SYSTEMS, INC. (US) 2024-01-02 — — US disclosed
CN-113365969-B Connector containing phthalic aldehyde and application thereof in preparation of antibody-drug conjugate 上海药明合联生物技术有限公司 2023-09-15 — — CN disclosed
US-20230192658-A1 CONJUGATES INCLUDING A DETECTABLE MOIETY VENTANA MEDICAL SYSTEMS, INC. 2023-06-22 — — US disclosed
US-20230192658-A1 CONJUGATES INCLUDING A DETECTABLE MOIETY VENTANA MEDICAL SYSTEMS, INC. 2023-06-22 — — US disclosed
US-20170022239-A1 CARBOHYDRATE LIGANDS THAT BIND TO IGM ANTIBODIES AGAINST MYELIN-ASSOCIATED GLYCOPROTEIN UNIVERSITAET BASEL (CH) 2017-01-26 — — US disclosed
EP-3116887-A1 CARBOHYDRATE LIGANDS THAT BIND TO IGM ANTIBODIES AGAINST MYELIN-ASSOCIATED GLYCOPROTEIN Universität Basel (CH) 2017-01-18 — — EP disclosed
CN-106103461-A Carbohydrate ligands of IgM antibodies binding to myelin associated glycoprotein 巴塞尔大学 2016-11-09 — — CN disclosed
WO-2015136027-A1 CARBOHYDRATE LIGANDS THAT BIND TO IGM ANTIBODIES AGAINST MYELIN-ASSOCIATED GLYCOPROTEIN UNIVERSITAET BASEL (CH) 2015-09-17 — — WO disclosed
WO-2015136027-A1 CARBOHYDRATE LIGANDS THAT BIND TO IGM ANTIBODIES AGAINST MYELIN-ASSOCIATED GLYCOPROTEIN UNIVERSITAET BASEL (CH) 2015-09-17 — — WO disclosed
CN-102816194-A Macrocyclic compounds and methods of making and using the same RIB X PHARMACEUTICALS INC 2012-12-12 — — CN disclosed
US-20100203647-A1 Chemical Reporters of Protein Acylation THE ROCKEFELLER UNIVERSITY (US) 2010-08-12 — — US disclosed
CN-1950388-A Macrocyclic compounds and methods of making and using the same RIB X PHARMACEUTICALS INC (US) 2007-04-18 — — CN 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-20230192658-A1 CONJUGATES INCLUDING A DETECTABLE MOIETY CD2BP2, CD47, CD44 ESR1 1349/4885ESR2 2192/4885MIF 1351/4885
US-20100203647-A1 Chemical Reporters of Protein Acylation ACOT7, ACAT2, AADAC ESR1 4728/4885ESR2 4290/4885MIF 4304/4885
US-11860167-B2 Application of click chemistry for signal amplification in IHC and ISH assays MKI67, TIE1, ALK ESR1 66/4885ESR2 842/4885MIF 1716/4885
US-20170022239-A1 CARBOHYDRATE LIGANDS THAT BIND TO IGM ANTIBODIES AGAINST MYELIN-ASSOCIATED GLYCOPROTEIN MAG, PMP22, SIGLEC7 ESR1 4877/4885ESR2 4809/4885MIF 1392/4885

“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.

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