SCHEMBL22552491

SCHEMBL22552491

C=C(C)c1cn(-c2ccccc2C)c(=O)c2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.47
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 2/20 0.38
SLC6A2 P23975 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
OPRK1 P41145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL22552187 0.83 DHODH (0.54) DHODHMEN1KMT2ALMNAL3MBTL1
SCHEMBL22552372 0.78 ATP4A (0.47) DHODHATP4AATP4BNPSR1MEN1
SCHEMBL22552409 0.71 DHODH (0.54) DHODHMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2676912 0.71 KDM4E (0.65) MEN1KMT2ALMNAL3MBTL1SMN1; SMN2
SCHEMBL30673353 0.70 DHODH (0.51) DHODHATP4AATP4BOPRK1
SCHEMBL30673343 0.70 ALDH1A1 (0.48) NPSR1HTTMEN1KMT2ALMNA
SCHEMBL22552356 0.69 KDM4E (0.54) DHODHNPSR1MAPTMEN1KMT2A
SCHEMBL22552419 0.69 DHODH (0.54) DHODHMEN1KMT2ALMNAL3MBTL1
SCHEMBL22552423 0.69 DHODH (0.54) DHODHMEN1KMT2ALMNAL3MBTL1
SCHEMBL22552526 0.69 TSHR (0.47) DHODHNPSR1HTTSLC6A2MEN1

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
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2022-11-22 US disclosed
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2022-09-22 US disclosed
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2020-10-22 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 (4 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-11753393-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD DHODH 1/4885ATP4A 1124/4885ATP4B 1949/4885
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD DHODH 1/4885ATP4A 1124/4885ATP4B 1949/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD DHODH 1/4885ATP4A 1124/4885ATP4B 1949/4885
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD DHODH 1/4885ATP4A 1124/4885ATP4B 1949/4885

“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.