SCHEMBL7191356

SCHEMBL7191356

O=C=Nc1ccc(C(N=C=O)(N=C=O)c2ccc(N=C=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TRPA1 O75762 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32

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
SCHEMBL28091475 0.81 CYP3A4 (0.62) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL2117825 0.79 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL7561707 0.79 CYP3A4 (0.45) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL15430 0.78 CYP3A4 (0.70) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL416763 0.78 CYP3A4 (0.48) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL2476985 0.77 KCNN4 (0.35) CYP3A4TSHRMAPK1CYP1A2GABRA1
SCHEMBL11883143 0.77 CYP3A4 (0.52) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL10647355 0.77 CYP3A4 (0.52) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL333387 0.76 CYP3A4 (0.42) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL3611392 0.76 CYP3A4 (0.42) CYP3A4TSHRMAPK1TDP1TRPA1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds ENEVATE CORP (US) 2024-10-03 — — US claimed
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION 2021-08-12 — — US claimed
WO-2021158366-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION (US) 2021-08-12 — — WO claimed
US-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds ENEVATE CORP (US) 2024-10-03 — — US disclosed
US-11949072-B2 Silicon-based energy storage devices with electrolyte containing cyanate based compounds ENEVATE CORPORATION (US) 2024-04-02 — — US disclosed
EP-2736874-B1 AMINE-INITIATED POLYOLS FROM RENWABLE RESOURCES AND PROCESSES FOR THEIR PRODUCTION AND USE COVESTRO LLC (US) 2024-03-20 — — EP disclosed
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION 2021-08-12 — — US disclosed
WO-2021158366-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION (US) 2021-08-12 — — WO disclosed
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION 2021-08-12 — — US disclosed
EP-3717541-A1 AGING-RESISTANT TPU BASF SE (DE) 2020-10-07 — — EP disclosed
EP-2736874-A2 AMINE-INITIATED POLYOLS FROM RENWABLE RESOURCES AND PROCESSES FOR THEIR PRODUCTION AND USE Bayer MaterialScience LLC (US) 2014-06-04 — — EP disclosed
US-20130030073-A1 AMINE-INITIATED POLYOLS FROM RENEWABLE RESOURCES AND PROCESSES FOR THEIR PRODUCTION AND USE BAYER MATERIALSCIENCE LLC (US) 2013-01-31 — — US disclosed
WO-2013016263-A2 AMINE-INITIATED POLYOLS FROM RENWABLE RESOURCES AND PROCESSES FOR THEIR PRODUCTION AND USE BAYER MATERIALSCIENCE LLC (US) 2013-01-31 — — WO disclosed
US-6538075-B1 Hardness, tensile and tear strength BASF AKTIENGESELLSCHAFT (DE) 2003-03-25 — — US disclosed
US-5786405-A EPOXIDATION OF AMINE IN THE PRESENCE OF ALKALI METAL HYDROXIDE, ADDING HYDROXYCARBOXY ACID BAYER CORPORATION (US) 1998-07-28 — — US disclosed
US-4294719-A ALSO URETONE-IMINE GROUPS; HIGHLY SELECTIVE, REMOVABLE CATALYST MATRIX BAYER AKTIENGESELLSCHAFT (DE) 1981-10-13 — — US disclosed
US-4110184-A PHOTOCURABLE DENTAL FILLING COMPOSITIONS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-29 — — US disclosed
US-4067820-A PHOSPHOROUS CONTAINING BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 — — US disclosed
US-4055549-A POLYCAPROLACTONE DIOL UNION CARBIDE CORPORATION (US) 1977-10-25 — — 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 (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-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds SIRT3, SLC6A12, HCN2 CYP3A4 4039/4885TSHR 4711/4885MAPK1 579/4885
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS SIRT3, SLC6A12, HCN2 CYP3A4 4039/4885TSHR 4711/4885MAPK1 579/4885
US-11949072-B2 Silicon-based energy storage devices with electrolyte containing cyanate based compounds SIRT3, SLC6A12, HCN2 CYP3A4 4039/4885TSHR 4711/4885MAPK1 579/4885

“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.

Send feedback