SCHEMBL22205271

SCHEMBL22205271

O=C(O)NCC(=CF)Cn1ncn(-c2cccc(-c3cccc(Br)c3)c2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.36
▸ PPARG P37231 4/20 0.35
▸ PPARD Q03181 4/20 0.35
▸ PPARA Q07869 4/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ GABRA4 P48169 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PDE4B Q07343 1/20 0.31
▸ CYP26A1 O43174 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
SCHEMBL22205270 1.00 MAPT (0.36) MAPTPPARGPPARDPPARAL3MBTL1
SCHEMBL22205272 0.94 PPARG (0.37) MAPTPPARGPPARDPPARASMN1; SMN2
SCHEMBL21384904 0.94 PPARG (0.37) MAPTPPARGPPARDPPARASMN1; SMN2
SCHEMBL21382244 0.94 PPARG (0.38) MAPTPPARGPPARDPPARASMN1; SMN2
SCHEMBL21382229 0.94 PPARG (0.38) MAPTPPARGPPARDPPARASMN1; SMN2
SCHEMBL21382241 0.94 PPARG (0.38) MAPTPPARGPPARDPPARASMN1; SMN2
SCHEMBL29980801 0.87 EGFR (0.36) MAPTPPARGPPARDPPARAL3MBTL1
SCHEMBL21382520 0.85 PPARD (0.45) PPARGPPARDPPARA
SCHEMBL21382415 0.85 PPARD (0.45) PPARGPPARDPPARA
SCHEMBL21382411 0.85 PPARD (0.45) PPARGPPARDPPARA

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-20210147368-A1 ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2021-05-20 — — US disclosed
US-10899719-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2021-01-26 — — US disclosed
US-20200223808-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2020-07-16 — — 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 (3 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-10899719-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same CYP7A1, NAT1, NCOA1 MAPT 2714/4885PPARG 23/4885PPARD 97/4885
US-20200223808-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CYP7A1, VAPB, SLC10A1 MAPT 2902/4885PPARG 20/4885PPARD 99/4885
US-20210147368-A1 ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CYP7A1, NAT1, NCOA1 MAPT 2714/4885PPARG 23/4885PPARD 97/4885

“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.

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