SCHEMBL4394514

SCHEMBL4394514

C#Cc1ccc(C#N)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.39
MAOA P21397 9/20 0.39
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
TRPV4 Q9HBA0 2/20 0.34
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL1914223 0.93 MAOA (0.34) MAOBMAOAALDH1A1KDM4EUSP2
SCHEMBL2793117 0.84 ALDH1A1 (0.58) MAOBMAOAALDH1A1KDM4EUSP2
SCHEMBL30150359 0.84 ALDH1A1 (0.58) MAOBMAOAALDH1A1KDM4EUSP2
SCHEMBL20364829 0.84 IMPDH2 (0.39) MAOBMAOAALDH1A1TRPV4
SCHEMBL31352953 0.84 IMPDH2 (0.39) MAOBMAOAALDH1A1TRPV4
SCHEMBL30488974 0.82 IMPDH2 (0.45) MAOBMAOAALDH1A1KDM4EUSP2
SCHEMBL818327 0.82 IMPDH2 (0.45) MAOBMAOAALDH1A1KDM4EUSP2
SCHEMBL2390105 0.80 TRPV4 (0.53) TRPV4
SCHEMBL14183919 0.80 TSHR (0.45) ALDH1A1KDM4EUSP2
SCHEMBL23797569 0.80 TSHR (0.45) ALDH1A1KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3300157-B1 NON-AQUEOUS ELECTROLYTE ADDITIVE, NON-AQUEOUS ELECTROLYTE CONTAINING SAME FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY LG CHEMICAL LTD (KR) 2019-10-16 EP disclosed
EP-3300157-B1 NON-AQUEOUS ELECTROLYTE ADDITIVE, NON-AQUEOUS ELECTROLYTE CONTAINING SAME FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY LG CHEMICAL LTD (KR) 2019-10-16 EP disclosed
US-20180198157-A1 NON-AQUEOUS ELECTROLYTE ADDITIVE, AND NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY COMPRISING THE SAME AND LITHIUM SECONDARY BATTERY LG CHEM, LTD. (KR) 2018-07-12 US disclosed
US-20180198157-A1 NON-AQUEOUS ELECTROLYTE ADDITIVE, AND NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY COMPRISING THE SAME AND LITHIUM SECONDARY BATTERY LG CHEM, LTD. (KR) 2018-07-12 US disclosed
EP-3300157-A2 NON-AQUEOUS ELECTROLYTE ADDITIVE, NON-AQUEOUS ELECTROLYTE CONTAINING SAME FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY LG Chem, Ltd. (KR) 2018-03-28 EP disclosed
US-8383658-B2 Isoxazole based neuronal nicotinic receptor ligands and methods of use ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
WO-2009149135-A1 BIS (HETERO ) ARYL SUBSTITUTED ISOXAZOLES FOR USE AS NEURONAL NICOTINIC RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2009-12-10 WO disclosed
US-20090306096-A1 Novel Isoxazoles and Methods of Use Thereof ABBOTT LABORATORIES (US) 2009-12-10 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 (1 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-20090306096-A1 Novel Isoxazoles and Methods of Use Thereof XDH, PRDX5, CYP4X1 MAOB 470/4885MAOA 508/4885ALDH1A1 369/4885

“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.