SCHEMBL21382200

SCHEMBL21382200

NC/C(=C\F)Cn1ncn(-c2ccc(Br)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.41
PPARA Q07869 13/20 0.41
PPARG P37231 10/20 0.41
HSD17B3 P37058 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ROCK2 O75116 2/20 0.33
AOC3 Q16853 2/20 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
SCHEMBL21382493 1.00 PPARD (0.41) PPARDPPARAPPARGHSD17B3NPC1
SCHEMBL21454174 0.90 PPARD (0.41) PPARDPPARAPPARGHSD17B3ROCK2
SCHEMBL21382462 0.90 PPARD (0.41) PPARDPPARAPPARGHSD17B3ROCK2
Hydrochloric Acid SCHEMBL21382356 0.89 PPARD (0.41) PPARDPPARAPPARGHSD17B3ROCK2
SCHEMBL21454461 0.88 ALDH1A1 (0.40) PPARDPPARAPPARGSMN1; SMN2ROCK2
SCHEMBL21454274 0.87 CYP1A2 (0.34) PPARDPPARAPPARGHSD17B3ROCK2
SCHEMBL21453703 0.87 MEN1 (0.39) PPARDPPARAPPARGHSD17B3AOC3
SCHEMBL21384709 0.87 CYP1A2 (0.34) PPARDPPARAPPARGHSD17B3ROCK2
SCHEMBL21454168 0.87 MEN1 (0.39) PPARDPPARAPPARGHSD17B3AOC3
SCHEMBL29981302 0.87 CYP1A2 (0.34) PPARDPPARAPPARGHSD17B3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111886227-B Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them 柳韩洋行 2023-10-13 CN claimed
CN-111886227-A Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them 柳韩洋行 2020-11-03 CN claimed
US-10562865-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2020-02-18 US claimed
US-20190308944-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2019-10-10 US claimed
CN-111886227-B Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them 柳韩洋行 2023-10-13 CN disclosed
US-11492335-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2022-11-08 US disclosed
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-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
CN-111886227-A Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them 柳韩洋行 2020-11-03 CN 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
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
US-10562865-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2020-02-18 US disclosed
US-10562865-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2020-02-18 US disclosed
US-20190308944-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2019-10-10 US disclosed
US-20190308944-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2019-10-10 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 (6 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-11492335-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same CYP7A1, NAT1, NCOA1 PPARD 97/4885PPARA 57/4885PPARG 23/4885
US-10562865-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same CYP7A1, NAT1, NCOA1 PPARD 97/4885PPARA 57/4885PPARG 23/4885
US-20190308944-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CYP7A1, VAPB, SLC10A1 PPARD 99/4885PPARA 57/4885PPARG 20/4885
US-10899719-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same CYP7A1, NAT1, NCOA1 PPARD 97/4885PPARA 57/4885PPARG 23/4885
US-20200223808-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CYP7A1, VAPB, SLC10A1 PPARD 99/4885PPARA 57/4885PPARG 20/4885
US-20210147368-A1 ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CYP7A1, NAT1, NCOA1 PPARD 97/4885PPARA 57/4885PPARG 23/4885

“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.