SCHEMBL21384904

SCHEMBL21384904

O=C(O)NC/C(=C\F)Cn1ncn(-c2cccc(-c3ccc(Br)cc3)c2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.37
▸ PPARD Q03181 5/20 0.37
▸ PPARA Q07869 5/20 0.37
▸ ROCK2 O75116 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ GABRA4 P48169 1/20 0.32
▸ COMT P21964 3/20 0.32
▸ OPRD1 P41143 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ MYC P01106 1/20 0.31
▸ WDR5 P61964 1/20 0.31
▸ SENP1 Q9P0U3 1/20 0.31
▸ MAPT P10636 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
SCHEMBL22205272 1.00 PPARG (0.37) PPARGPPARDPPARAROCK2GABRD
SCHEMBL22205270 0.94 MAPT (0.36) PPARGPPARDPPARAGABRDGABRA1
SCHEMBL22205271 0.94 MAPT (0.36) PPARGPPARDPPARAGABRDGABRA1
SCHEMBL21382241 0.90 PPARG (0.38) PPARGPPARDPPARAGABRDGABRA1
SCHEMBL21382244 0.90 PPARG (0.38) PPARGPPARDPPARAGABRDGABRA1
SCHEMBL21382229 0.90 PPARG (0.38) PPARGPPARDPPARAGABRDGABRA1
SCHEMBL21382520 0.87 PPARD (0.45) PPARGPPARDPPARA
SCHEMBL21382411 0.87 PPARD (0.45) PPARGPPARDPPARA
SCHEMBL21382415 0.87 PPARD (0.45) PPARGPPARDPPARA
SCHEMBL29981206 0.87 PPARG (0.38) PPARGPPARDPPARAMEN1HPGD

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 5 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
EP-3768663-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Yuhan Corporation (KR) 2021-01-27 — — EP 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
WO-2019180644-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2019-09-26 — — WO 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 PPARG 23/4885PPARD 97/4885PPARA 57/4885
US-20200223808-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CYP7A1, VAPB, SLC10A1 PPARG 20/4885PPARD 99/4885PPARA 57/4885
US-20210147368-A1 ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CYP7A1, NAT1, NCOA1 PPARG 23/4885PPARD 97/4885PPARA 57/4885

“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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