SCHEMBL22564074

SCHEMBL22564074

O=c1[nH]nnn1-c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALOX5 P09917 2/20 0.41
ALKBH5 Q6P6C2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPBWR1 P48145 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
SCHEMBL16490970 0.84 MGLL (0.33) MGLLMEN1KMT2AALOX5ALKBH5
SCHEMBL3239509 0.81 IDO1 (0.46) MGLLALOX5ALDH1A1
SCHEMBL18849418 0.80 CYP1A2 (0.32) L3MBTL1
SCHEMBL17938253 0.80 TSHR (0.44) MEN1KMT2AALDH1A1
SCHEMBL16297129 0.80 IDO1 (0.47) MGLLMEN1KMT2AALOX5ALDH1A1
SCHEMBL5905967 0.80 CYP1A2 (0.48) MGLLALOX5ALDH1A1L3MBTL1NPBWR1
SCHEMBL18503917 0.80 FAAH (0.46) MGLL
SCHEMBL18500802 0.80 GRM1 (0.36) ALDH1A1
SCHEMBL5906174 0.79 NPC1 (0.42) MGLLMEN1KMT2AALKBH5ALDH1A1
SCHEMBL4672478 0.78 GAA (0.43) ALDH1A1GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110279-B2 Triazolones, tetrazolones, and imidazolones, or their salts, and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2024-10-08 US disclosed
EP-4326715-A1 TRIAZOLONES, TETRAZOLONES, AND IMIDAZOLONES, OR THEIR SALTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Yuhan Corporation (KR) 2024-02-28 EP disclosed
CN-117203205-A Triazolone, tetrazolone and imidazolone or salts thereof, and pharmaceutical compositions containing the same 柳韩洋行 2023-12-08 CN disclosed
US-20220380324-A1 TRIAZOLONES, TETRAZOLONES, AND IMIDAZOLONES, OR THEIR SALTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2022-12-01 US disclosed
WO-2022224195-A1 TRIAZOLONES, TETRAZOLONES, AND IMIDAZOLONES, OR THEIR SALTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2022-10-27 WO disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP 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-12110279-B2 Triazolones, tetrazolones, and imidazolones, or their salts, and pharmaceutical compositions comprising the same VAPB, VAPA, FABP1 MGLL 1932/4885MEN1 3726/4885KMT2A 4667/4885
US-20220380324-A1 TRIAZOLONES, TETRAZOLONES, AND IMIDAZOLONES, OR THEIR SALTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPB, VAPA, FABP1 MGLL 1932/4885MEN1 3726/4885KMT2A 4667/4885

“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.