SCHEMBL895728

SCHEMBL895728

C=Cc1ccn(C)c1C=C

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18184622 0.83
SCHEMBL15166104 0.83
SCHEMBL19903738 0.83
SCHEMBL12835518 0.78
SCHEMBL21455437 0.76
SCHEMBL18938890 0.74
SCHEMBL23154239 0.69
SCHEMBL12835521 0.66 NOS1 (0.33)
SCHEMBL23134911 0.66
SCHEMBL24267493 0.65 BRD4 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12021226-B2 Cathode materials for secondary batteries UCHICAGO ARGONNE, LLC (US) 2024-06-25 US disclosed
EP-3656009-B1 MODIFIED IONIC LIQUIDS CONTAINING TRIAZINE NOHMS TECH INC (US) 2023-11-15 EP disclosed
EP-4158671-A2 MODIFIED IONIC LIQUIDS CONTAINING BICYCLOPHOSPHATE MOIETY Nohms Technologies, Inc. (US) 2023-04-05 EP disclosed
EP-4106070-A1 PHOSPHORUS-CONTAINING ELECTROLYTES Nohms Technologies, Inc. (US) 2022-12-21 EP disclosed
US-11489201-B2 Modified ionic liquids containing phosphorus NOHMs Technologies, Inc. (US) 2022-11-01 US disclosed
EP-3436465-B1 MODIFIED IONIC LIQUIDS CONTAINING PHOSPHORUS NOHMS TECH INC (US) 2022-05-25 EP disclosed
EP-3942094-A1 MODIFIED IONIC LIQUIDS CONTAINING CYCLIC PHOSPHORUS MOIETY Nohms Technologies, Inc. (US) 2022-01-26 EP disclosed
WO-2021257242-A2 MODIFIED IONIC LIQUIDS CONTAINING BICYCLOPHOSPHATE MOIETY NOHMs Technologies, Inc. (US) 2021-12-23 WO disclosed
US-20210376386-A1 MODIFIED IONIC LIQUIDS CONTAINING BICYCLOPHOSPHATE MOIETY NOHMs Technologies, Inc. (US) 2021-12-02 US disclosed
CN-113710643-A Boron-containing modified ionic liquids 诺姆斯科技股份有限公司 2021-11-26 CN disclosed
US-8283074-B2 Electrolyte salts for nonaqueous electrolytes UCHICAGO ARGONNE, LLC (US) 2012-10-09 US disclosed
US-20120148731-A1 SURFACE MODIFICATION AGENTS FOR LITHIUM BATTERIES UNITED STATES DEPARTMENT OF ENERGY 2012-06-14 US disclosed
US-8187746-B2 Surface modification agents for lithium batteries UCHICAGO ARGONNE, LLC (US) 2012-05-29 US disclosed
US-20120082903-A1 FUNCTIONALIZED IONIC LIQUID ELECTROLYTES FOR LITHIUM ION BATTERIES ENERGY, UNITED STATES DEPARTMENT OF 2012-04-05 US disclosed
US-20110294003-A1 POLYETHER-FUNCTIONALIZED REDOX SHUTTLE ADDITIVES FOR LITHIUM ION BATTERIES ENERGY, UNITED STATES DEPARTMENT OF 2011-12-01 US disclosed
US-20110294017-A1 REDOX SHUTTLES FOR LITHIUM ION BATTERIES ENERGY, UNITED STATES DEPARTMENT OF 2011-12-01 US disclosed
US-20110294018-A1 REDOX SHUTTLES FOR HIGH VOLTAGE CATHODES ENERGY, UNITED STATES DEPARTMENT OF 2011-12-01 US disclosed
US-20110076572-A1 NON-AQUEOUS ELECTROLYTES FOR ELECTROCHEMICAL CELLS ENERGY, UNITED STATES DEPARTMENT OF 2011-03-31 US disclosed
US-20100040954-A1 ELECTROLYTE SALTS FOR NONAQUEOUS ELECTROLYTES UNITED STATES DEPARTMENT OF ENERGY 2010-02-18 US disclosed
US-20090286157-A1 Surface modification agents for lithium batteries U.S. DEPT. OF ENERGY 2009-11-19 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-11489201-B2 Modified ionic liquids containing phosphorus INPPL1, PLCB3, INPP5D ALDH1A1 4118/4885
US-20110294003-A1 POLYETHER-FUNCTIONALIZED REDOX SHUTTLE ADDITIVES FOR LITHIUM ION BATTERIES NOX4, NDUFS3, NDUFS7 ALDH1A1 3741/4885
US-20110294018-A1 REDOX SHUTTLES FOR HIGH VOLTAGE CATHODES NOX4, SLC25A11, GPX4 ALDH1A1 1199/4885
US-20120082903-A1 FUNCTIONALIZED IONIC LIQUID ELECTROLYTES FOR LITHIUM ION BATTERIES SLC26A3, SLC6A6, HCN2 ALDH1A1 1646/4885
US-20210376386-A1 MODIFIED IONIC LIQUIDS CONTAINING BICYCLOPHOSPHATE MOIETY IPMK, PPIP5K2, OSGEP ALDH1A1 3196/4885

“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.