Sugi Predict

Sugi Predict / Compounds / SCHEMBL28050

SCHEMBL28050

SCHEMBL28050

[C]OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.58
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ KMT2A Q03164 2/20 0.42
▸ FABP5 Q01469 3/20 0.41
▸ FABP7 O15540 2/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ ACHE P22303 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL31370732 1.00 HTR2A (0.58) HTR2ACA1CA2KMT2AFABP5
SCHEMBL2730698 0.81 CA1 (0.57) HTR2ACA1CA2KMT2AFABP5
SCHEMBL15372784 0.77 CA1 (0.53) HTR2ACA1CA2KMT2AFABP5
SCHEMBL8131 0.77 CA1 (0.58) HTR2ACA1CA2KMT2AFABP5
SCHEMBL158137 0.77 CA1 (0.53) HTR2ACA1CA2KMT2AFABP5
SCHEMBL31501939 0.77 CA1 (0.53) HTR2ACA1CA2KMT2AFABP5
SCHEMBL456018 0.77 CA1 (0.53) HTR2ACA1CA2KMT2AFABP5
SCHEMBL4992955 0.77 CA1 (0.53) HTR2ACA1CA2KMT2AFABP5
SCHEMBL20362789 0.77 CA1 (0.53) HTR2ACA1CA2KMT2AFABP5
SCHEMBL1275884 0.74 CA1 (0.50) HTR2ACA1CA2KMT2AFABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464285-A1 PROCESS FOR PREPARING N-(5-(3-(7-(3-FLUOROPHENYL)-3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1H-INDAZOL-5-YL)PYRIDIN-3-YL)-3-METHYLBUTANAMIDE Samumed, LLC (US) 2019-04-10 — — EP claimed
WO-2017210407-A1 PROCESS FOR PREPARING N-(5-(3-(7-(3-FLUOROPHENYL)-3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1H-INDAZOL-5-YL)PYRIDIN-3-YL)-3-METHYLBUTANAMIDE SAMUMED, LLC (US) 2017-12-07 — — WO claimed
CN-102260349-A Anti-amyloid beta protein (A beta) 31-35 antibody for treating and preventing Alzheimer's disease (AD), and preparation method thereof — 2011-11-30 — — CN claimed
WO-2000030646-A1 HETEROCYCLIC COMPOUNDS REGULATING CLOTTING NOVO NORDISK A/S (DK) 2000-06-02 — — WO claimed
US-11434192-B2 Process and intermediates NOVARTIS AG (CH) 2022-09-06 — — US disclosed
US-11235001-B2 RUNX inhibitor KYOTO UNIVERSITY (JP) 2022-02-01 — — US disclosed
US-20210246122-A1 Triazine Compounds and Uses Thereof Aduro Biotech, Inc. (US) 2021-08-12 — — US disclosed
EP-3558930-B1 NEW PROCESS FOR EARLY SACUBITRIL INTERMEDIATES NOVARTIS AG (CH) 2021-05-26 — — EP disclosed
EP-3810600-A1 TRIAZINE COMPOUNDS AND USES THEREOF Aduro BioTech, Inc. (US) 2021-04-28 — — EP disclosed
EP-3500549-B1 NEW PROCESSES AND INTERMEDIATES FOR NEP INHIBITOR SYNTHESIS NOVARTIS AG (CH) 2020-12-16 — — EP disclosed
US-10851059-B2 Processes and intermediates for NEP inhibitor synthesis NOVARTIS AG (CH) 2020-12-01 — — US disclosed
US-10774036-B2 Process for early sacubitril intermediates NOVARTIS AG (CH) 2020-09-15 — — US disclosed
EP-0746340-A1 PEPTIDE-CHELATOR CONJUGATES RESOLUTION PHARMACEUTICALS INC. (CA) 1996-12-11 — — EP disclosed
WO-1995022996-A2 PEPTIDE-CHELATOR CONJUGATES RESOLUTION PHARMACEUTICALS INC. (CA) 1995-08-31 — — WO disclosed
EP-0651761-A1 METHOD FOR MODIFICATION OF RECOMBINANT POLYPEPTIDES BIONEBRASKA, INC. (US) 1995-05-10 — — EP disclosed
EP-0226217-B1 Peptides with sulfate ester group FISONS CORP (US) 1994-01-26 — — EP disclosed
WO-1994001451-A2 METHOD FOR MODIFICATION OF RECOMBINANT POLYPEPTIDES BIONEBRASKA, INC. (US) 1994-01-20 — — WO disclosed
EP-0470256-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1992-02-12 — — EP disclosed
WO-1991013089-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-09-05 — — WO disclosed
EP-0298474-A2 Novel calcitonin derivative and salt thereof MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1989-01-11 — — EP 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-10774036-B2 Process for early sacubitril intermediates MME, ACE, DNPEP HTR2A 970/4885CA1 4098/4885CA2 2198/4885
US-20210246122-A1 Triazine Compounds and Uses Thereof IL5, IL15, TLR5 HTR2A 317/4885CA1 1086/4885CA2 2229/4885
US-11235001-B2 RUNX inhibitor RUNX1, MLX, CBX2 HTR2A 1862/4885CA1 1575/4885CA2 2495/4885
US-10851059-B2 Processes and intermediates for NEP inhibitor synthesis MME, ACE, DNPEP HTR2A 1898/4885CA1 3223/4885CA2 2586/4885
US-11434192-B2 Process and intermediates MME, ACE, DNPEP HTR2A 1701/4885CA1 3396/4885CA2 2728/4885

“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.