SCHEMBL20838501

SCHEMBL20838501

CN(C)CCNCc1ccc2c(Cl)cc(Cl)c(N)c2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.41
SIGMAR1 Q99720 1/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
MAP4K4 O95819 2/20 0.35
MAPT P10636 1/20 0.34
NCF1 P14598 1/20 0.34
RAD52 P43351 1/20 0.33
FERMT2 Q96AC1 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 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
SCHEMBL20853391 0.93 TERT (0.43) TERTMAPTRAD52FERMT2KMT2A
SCHEMBL30711795 0.93 TERT (0.43) TERTMAPTRAD52FERMT2KMT2A
SCHEMBL20838473 0.89 SIGMAR1 (0.45) TERTSIGMAR1MAP4K4MAPTNCF1
SCHEMBL20853404 0.83 TERT (0.41) TERTSIGMAR1ITGB2ICAM1ITGAL
SCHEMBL30711805 0.83 TERT (0.41) TERTSIGMAR1ITGB2ICAM1ITGAL
SCHEMBL20853238 0.81 TERT (0.40) TERTSIGMAR1ITGB2ICAM1ITGAL
SCHEMBL30711798 0.76 TERT (0.45) TERTSIGMAR1ITGB2ICAM1ITGAL
SCHEMBL20853405 0.76 TERT (0.45) TERTSIGMAR1ITGB2ICAM1ITGAL
SCHEMBL20838516 0.72 TERT (0.46) TERTSIGMAR1MAP4K4NCF1HRH3
SCHEMBL20873527 0.70 SIGMAR1 (0.41) TERTSIGMAR1RAD52FERMT2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3466931-B1 TETRADENTATE CHELATING MONOQUINOLINE DERIVATIVE, MANUFACTURING METHOD THEREOF, AND APPLICATION OF SAME AS METAL ION REGULATOR FOR NEURODEGENERATIVE DISEASE UNIV GUANGDONG TECHNOLOGY (CN) 2024-01-10 EP disclosed
US-10807957-B2 Tetradentate chelating monoquinoline derivative, manufacturing method thereof, and application of same as metal ion regulator for neurodegenerative disease UNIV GUANGDONG TECHNOLOGY (CN) 2020-10-20 US disclosed
US-10807957-B2 Tetradentate chelating monoquinoline derivative, manufacturing method thereof, and application of same as metal ion regulator for neurodegenerative disease UNIV GUANGDONG TECHNOLOGY (CN) 2020-10-20 US disclosed
EP-3466931-A1 TETRADENTATE CHELATING MONOQUINOLINE DERIVATIVE, MANUFACTURING METHOD THEREOF, AND APPLICATION OF SAME AS METAL ION REGULATOR FOR NEURODEGENERATIVE DISEASE Guangdong University Of Technology (CN) 2019-04-10 EP disclosed
US-20190092730-A1 TETRADENTATE CHELATING MONOQUINOLINE DERIVATIVE, MANUFACTURING METHOD THEREOF, AND APPLICATION OF SAME AS METAL ION REGULATOR FOR NEURODEGENERATIVE DISEASE GUANGDONG UNIVERSITY OF TECHNOLOGY 2019-03-28 US disclosed
US-20190092730-A1 TETRADENTATE CHELATING MONOQUINOLINE DERIVATIVE, MANUFACTURING METHOD THEREOF, AND APPLICATION OF SAME AS METAL ION REGULATOR FOR NEURODEGENERATIVE DISEASE GUANGDONG UNIVERSITY OF TECHNOLOGY 2019-03-28 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 (2 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-10807957-B2 Tetradentate chelating monoquinoline derivative, manufacturing method thereof, and application of same as metal ion regulator for neurodegenerative disease SOD1, SLC30A6, SLC30A7 TERT 508/4885SIGMAR1 1651/4885ITGB2 4574/4885
US-20190092730-A1 TETRADENTATE CHELATING MONOQUINOLINE DERIVATIVE, MANUFACTURING METHOD THEREOF, AND APPLICATION OF SAME AS METAL ION REGULATOR FOR NEURODEGENERATIVE DISEASE SOD1, SLC30A6, SLC30A7 TERT 508/4885SIGMAR1 1651/4885ITGB2 4574/4885

“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.