SCHEMBL20853404

SCHEMBL20853404

CN(C)CCNCc1ccc2ccc(Cl)c(N)c2n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.41
SIGMAR1 Q99720 1/20 0.40
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
MAP4K4 O95819 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
RAD52 P43351 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL30711805 1.00 TERT (0.41) TERTSIGMAR1ITGB2ICAM1ITGAL
SCHEMBL20838501 0.83 TERT (0.41) TERTSIGMAR1ITGB2ICAM1ITGAL
SCHEMBL20853405 0.79 TERT (0.45) TERTSIGMAR1ITGB2ICAM1ITGAL
SCHEMBL30711798 0.79 TERT (0.45) TERTSIGMAR1ITGB2ICAM1ITGAL
SCHEMBL20873525 0.78 MOK (0.40) TERTSIGMAR1ITGB2ICAM1ITGAL
SCHEMBL20853238 0.77 TERT (0.40) TERTSIGMAR1ITGB2ICAM1ITGAL
SCHEMBL30711795 0.76 TERT (0.43) TERTRAD52
SCHEMBL20853391 0.76 TERT (0.43) TERTRAD52
SCHEMBL20838516 0.75 TERT (0.46) TERTSIGMAR1MAP4K4HRH3
SCHEMBL20853406 0.73 LCK (0.37) TERTSIGMAR1RAD52HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.