SCHEMBL20838499

SCHEMBL20838499

C=Cc1ccc2cc(C(F)(F)F)cc([N+](=O)[O-])c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
LMNA P02545 5/20 0.50
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALOX15 P16050 1/20 0.45
HIF1A Q16665 1/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
MAPT P10636 6/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PTPN5 P54829 1/20 0.40
MAPK1 P28482 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL20838507 0.79 NFKBIA (0.53) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL11544441 0.76 KMT2A (0.51) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL5445828 0.73 HSP90AA1 (0.62) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL15561143 0.69 ALDH1A1 (0.50) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL11864603 0.67 CYP3A4 (0.41) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL16960151 0.66 ALDH1A1 (0.46) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL28935509 0.66 MEN1 (0.35) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL30019384 0.66 MEN1 (0.35) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL30873750 0.66 PDE10A (0.55) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL11201388 0.66 MAPK1 (0.62) LMNAALDH1A1HPGDCYP3A4TSHR

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 4 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
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 MEN1 1818/4885KMT2A 1151/4885LMNA 4524/4885
US-20190092730-A1 TETRADENTATE CHELATING MONOQUINOLINE DERIVATIVE, MANUFACTURING METHOD THEREOF, AND APPLICATION OF SAME AS METAL ION REGULATOR FOR NEURODEGENERATIVE DISEASE SOD1, SLC30A6, SLC30A7 MEN1 1818/4885KMT2A 1151/4885LMNA 4524/4885

“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.