SCHEMBL22552340

SCHEMBL22552340

[2H]C([2H])([2H])c1ccccc1-n1cc(C(C)C)c2ccccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 15/20 0.45
OPRK1 P41145 1/20 0.41
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
BRD4 O60885 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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 0.90 DHODH (0.53) DHODHOPRK1ATP4AATP4BFAAH
SCHEMBL22552455 0.90 DHODH (0.53) DHODHOPRK1ATP4AATP4BFAAH
SCHEMBL22552486 0.79 DHODH (0.51) DHODHOPRK1
SCHEMBL22552364 0.77 DHODH (0.50) DHODHATP4AATP4BMGLLSMN1; SMN2
SCHEMBL22552431 0.77 DHODH (0.50) DHODHOPRK1ATP4AATP4B
SCHEMBL22552508 0.77 DHODH (0.52) DHODHOPRK1ATP4AATP4BSMN1; SMN2
SCHEMBL30673354 0.77 DHODH (0.52) DHODHOPRK1ATP4AATP4BSMN1; SMN2
SCHEMBL22552176 0.76 DHODH (0.52) DHODHOPRK1ATP4AATP4BBRD4
SCHEMBL22552539 0.76 POLB (0.52) DHODHOPRK1TDP1L3MBTL1
SCHEMBL29149125 0.76 DHODH (0.57) DHODHOPRK1ATP4AATP4BSMN1; SMN2

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 1/4885OPRK1 2353/4885ATP4A 1124/4885
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD DHODH 1/4885OPRK1 2353/4885ATP4A 1124/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD DHODH 1/4885OPRK1 2353/4885ATP4A 1124/4885
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD DHODH 1/4885OPRK1 2353/4885ATP4A 1124/4885

“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.