SCHEMBL22552455

SCHEMBL22552455

Cc1ccccc1-n1cc(C(C)C)c2ccccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.53
ATP4A P20648 1/20 0.48
ATP4B P51164 1/20 0.48
OPRK1 P41145 1/20 0.47
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MGLL Q99685 2/20 0.39
FAAH O00519 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 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
SCHEMBL30849483 1.00 DHODH (0.53) DHODHATP4AATP4BOPRK1BRD4
SCHEMBL22552340 0.90 DHODH (0.45) DHODHATP4AATP4BOPRK1BRD4
SCHEMBL29149125 0.85 DHODH (0.57) DHODHATP4AATP4BOPRK1ALDH1A1
SCHEMBL29441684 0.84 DHODH (0.68) DHODHOPRK1
SCHEMBL22552508 0.83 DHODH (0.52) DHODHATP4AATP4BOPRK1ALDH1A1
SCHEMBL22552427 0.83 DHODH (0.50) DHODHATP4AATP4BOPRK1HSP90AA1
SCHEMBL30673354 0.83 DHODH (0.52) DHODHATP4AATP4BOPRK1ALDH1A1
SCHEMBL22552549 0.83 DHODH (0.52) DHODHATP4AATP4BOPRK1ALDH1A1
SCHEMBL22552431 0.83 DHODH (0.50) DHODHATP4AATP4BOPRK1HSP90AA1
SCHEMBL22552486 0.83 DHODH (0.51) DHODHOPRK1

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.