SCHEMBL20838488

SCHEMBL20838488

CN(C)CCNCc1ccc2cc(F)cc(N(C(=O)O)C(C)(C)C)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.38
TMEM97 Q5BJF2 3/20 0.35
SIGMAR1 Q99720 3/20 0.35
MAP4K4 O95819 2/20 0.35
MOK Q9UQ07 1/20 0.33
MAPK1 P28482 1/20 0.32
KDM5C P41229 2/20 0.32
KDM5B Q9UGL1 2/20 0.32
APAF1 O14727 1/20 0.32
RAD52 P43351 1/20 0.32
CASP7 P55210 1/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM6B O15054 1/20 0.32
KDM4A O75164 1/20 0.32
KDM5A P29375 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
ROCK2 O75116 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL20838467 0.81 TERT (0.34) TERTSIGMAR1MOKKDM5CKDM5B
SCHEMBL20838489 0.76 TMEM97 (0.40) TERTTMEM97SIGMAR1MAP4K4MOK
SCHEMBL20838516 0.75 TERT (0.46) TERTTMEM97SIGMAR1MAP4K4
SCHEMBL20838475 0.69 MOK (0.39) TERTTMEM97SIGMAR1MOKRAD52
SCHEMBL20853400 0.67 TERT (0.42) TERTMAP4K4CCR2TACR1
SCHEMBL30711779 0.67 TERT (0.42) TERTMAP4K4CCR2TACR1
SCHEMBL30711798 0.65 TERT (0.45) TERTSIGMAR1MAP4K4
SCHEMBL20853405 0.65 TERT (0.45) TERTSIGMAR1MAP4K4
SCHEMBL20873525 0.64 MOK (0.40) TERTSIGMAR1MAP4K4MOKMAPK1
SCHEMBL24197401 0.62 TERT (0.50) TERTMOKRAD52HDAC1HDAC2

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 2 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
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 508/4885TMEM97 748/4885SIGMAR1 1651/4885
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 508/4885TMEM97 748/4885SIGMAR1 1651/4885

“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.