Sugi Predict

Sugi Predict / Compounds / SCHEMBL3345446

SCHEMBL3345446

SCHEMBL3345446

O=[N+]([O-])c1ccc(OCCCO)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.58
▸ DRD4 P21917 1/20 0.58
▸ DRD3 P35462 1/20 0.58
▸ MAPT P10636 4/20 0.56
▸ HRH3 Q9Y5N1 1/20 0.55
▸ CRHBP P24387 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ KCNH2 Q12809 4/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ LTA4H P09960 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ PTGS2 P35354 1/20 0.51

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
SCHEMBL5520486 0.95 HRH3 (0.57) DRD2DRD4DRD3MAPTHRH3
SCHEMBL28408754 0.93 HRH3 (0.60) DRD2DRD4DRD3MAPTHRH3
SCHEMBL31087909 0.93 HRH3 (0.60) DRD2DRD4DRD3MAPTHRH3
SCHEMBL8955592 0.93 HRH3 (0.60) DRD2DRD4DRD3MAPTHRH3
SCHEMBL26329663 0.93 HRH3 (0.60) DRD2DRD4DRD3MAPTHRH3
SCHEMBL56460 0.91 MAPT (0.58) DRD2DRD4DRD3MAPTHRH3
SCHEMBL9305563 0.91 PTGS2 (0.66) DRD2DRD4DRD3MAPTL3MBTL1
SCHEMBL9305557 0.91 PTGS2 (0.66) DRD2DRD4DRD3MAPTL3MBTL1
SCHEMBL8832228 0.91 PPARD (0.55) DRD2DRD4DRD3MAPTHRH3
SCHEMBL9335578 0.89 HRH3 (0.56) DRD2DRD4DRD3MAPTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981665-B2 Substituted pyrimidines, pharmaceutical compositions and therapeutic methods thereof CHEN ZHIHONG (US) 2024-05-14 — — US disclosed
CN-111683662-B Substituted pyrimidine compounds, pharmaceutical compositions and methods of treatment 陈志宏 2024-04-02 — — CN disclosed
CN-117242396-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element 日产化学株式会社 2023-12-15 — — CN disclosed
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 — — US disclosed
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 — — US disclosed
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 — — US disclosed
CN-116323580-A Conjugated degradation (EGFR) of EGFR inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2023-06-23 — — CN disclosed
WO-2023074568-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2023-05-04 — — WO disclosed
US-20230109688-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF CHEN ZHIHONG (US) 2023-04-13 — — US disclosed
EP-3675860-B1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF ZHIHONG CHEN (US) 2023-03-08 — — EP disclosed
US-20100016955-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 — — US disclosed
US-20100016955-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 — — US disclosed
US-20070185135-A1 Drug-Polymer Conjugates PHARMAESSENTIA CORP. 2007-08-09 — — US disclosed
WO-2007025089-A2 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICAL, INC. (US) 2007-03-01 — — WO disclosed
CN-1120154-C 4-hydroxy-piperidine derivatives HOFFMANN LA ROCHE (CH) 2003-09-03 — — CN disclosed
CN-1171396-A 4-hydroxy-piperidine derivatives HOFFMANN LA ROCHE (CH) 1998-01-28 — — CN disclosed
EP-0355492-B1 REACTIVE DYES BAYER AG (DE) 1992-12-09 — — EP disclosed
US-5138054-A Colorfastness, photostability; red dye BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 — — US disclosed
EP-0355492-A1 Reactive dyes BAYER AG (DE) 1990-02-28 — — EP disclosed
US-4123614-A USED IN DETECTION AND MEASUREMENT OF BIOLOGICAL SYSTEMS AND/OR COMPONENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 — — US 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 (5 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-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 DRD2 4409/4885DRD4 4387/4885DRD3 4240/4885
US-20100016955-A1 Triazole compounds and methods of making and using the same IL33, PROKR1, VIP DRD2 2198/4885DRD4 2592/4885DRD3 1573/4885
US-20070185135-A1 Drug-Polymer Conjugates LNPEP, MSN, ANPEP DRD2 2489/4885DRD4 2312/4885DRD3 1653/4885
US-20230109688-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF BTK, PTK2, LCK DRD2 4574/4885DRD4 4745/4885DRD3 4692/4885
US-11981665-B2 Substituted pyrimidines, pharmaceutical compositions and therapeutic methods thereof BTK, PTK2, LCK DRD2 4574/4885DRD4 4745/4885DRD3 4692/4885

“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.