SCHEMBL22552387

SCHEMBL22552387

COc1nccc(-n2cc(C(C)C)c3ccccc3c2=O)c1C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 15/20 0.53
ATP4A P20648 2/20 0.40
ATP4B P51164 2/20 0.40
BRD9 Q9H8M2 1/20 0.34
BRD7 Q9NPI1 1/20 0.34
OPRK1 P41145 1/20 0.33
DRD1 P21728 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL22552452 0.85 DHODH (0.53) DHODHATP4AATP4BBRD9BRD7
SCHEMBL22552272 0.83 DHODH (0.52) DHODHATP4AATP4BBRD9BRD7
SCHEMBL22552599 0.83 DHODH (0.40) DHODHATP4AATP4BOPRK1BRD4
SCHEMBL22552485 0.80 DHODH (0.51) DHODHATP4AATP4BBRD9BRD7
SCHEMBL22552176 0.77 DHODH (0.52) DHODHATP4AATP4BOPRK1BRD4
SCHEMBL22552364 0.76 DHODH (0.50) DHODHATP4AATP4B
SCHEMBL22552510 0.75 DHODH (0.53) DHODHATP4AATP4BOPRK1
SCHEMBL22552431 0.75 DHODH (0.50) DHODHATP4AATP4BOPRK1
SCHEMBL22552455 0.74 DHODH (0.53) DHODHATP4AATP4BOPRK1BRD4
SCHEMBL30849483 0.74 DHODH (0.53) DHODHATP4AATP4BOPRK1BRD4

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.