SCHEMBL3764874

SCHEMBL3764874

CCCCCc1c[c]ccn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TLR7 Q9NYK1 2/20 0.31
MIF P14174 1/20 0.31
HRH1 P35367 1/20 0.31
CYP3A4 P08684 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP19A1 P11511 5/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
TLR8 Q9NR97 1/20 0.30
NOS2 P35228 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
SCHEMBL5536148 0.98 KCNH2 (0.44) KCNH2TDP1L3MBTL1TLR7HRH1
SCHEMBL3454847 0.98 KCNH2 (0.44) KCNH2TDP1L3MBTL1TLR7HRH1
SCHEMBL2252151 0.94 KCNH2 (0.34) KCNH2NOS2
SCHEMBL2252422 0.86
SCHEMBL1188511 0.75 KCNH2 (0.57) KCNH2TDP1L3MBTL1MIFCYP3A4
SCHEMBL1187641 0.74 KCNH2 (0.61) KCNH2CYP3A4PTGS2CYP19A1
SCHEMBL1188686 0.74 KCNH2 (0.61) KCNH2CYP3A4PTGS2CYP19A1
SCHEMBL1187823 0.74 KCNH2 (0.61) KCNH2CYP3A4PTGS2CYP19A1
SCHEMBL1186843 0.74 KCNH2 (0.61) KCNH2CYP3A4PTGS2CYP19A1
SCHEMBL1187937 0.74 KCNH2 (0.61) KCNH2CYP3A4PTGS2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548023-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES T3D Therapeutics, Inc. (US) 2019-10-09 EP disclosed
WO-2018102358-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 WO disclosed
WO-2018102399-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES T3D THERAPEUTICS, INC. (US) 2018-06-07 WO disclosed
US-8987309-B2 Compounds, pharmaceutical compositions and methods of use of 2-aryl pyridylazoles THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-03-24 US disclosed
US-20120136029-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF 2-ARYL PYRIDYLAZOLES UNIVERSITY OF ARIZONA (US) 2012-05-31 US disclosed
WO-2010121243-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF 2-ARYL PYRIDYLAZOLES UNIVERSITY OF ARIZONA (US) 2010-10-21 WO disclosed
EP-0215435-B1 2-OXA-ISOCEPHEM COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
US-4831026-A ANTIBIOTICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0215435-A1 2-Oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-03-25 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 (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-20120136029-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF 2-ARYL PYRIDYLAZOLES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CDK2, CCNC KCNH2 3909/4885TDP1 2359/4885L3MBTL1 4834/4885

“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.