SCHEMBL29480992

SCHEMBL29480992

CC(C)c1c[nH]c(=O)c2cc(F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.42
DAO P14920 2/20 0.40
JAK2 O60674 5/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
KCNH2 Q12809 1/20 0.36
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL22094998 0.84 KCNH2 (0.41) PARP1DAOJAK2HTR2AHTR2C
SCHEMBL31308980 0.84 KCNH2 (0.41) PARP1DAOJAK2HTR2AHTR2C
SCHEMBL26276532 0.82 AR (0.33) DAOALDH1A1LMNAMAPTPRMT5
SCHEMBL22093905 0.78 KCNH2 (0.41) PARP1DAOJAK2HTR2AHTR2C
SCHEMBL29914870 0.77 PARP1 (0.46) PARP1DAOALDH1A1LMNAPOLB
SCHEMBL4503796 0.77 HTR2A (0.55) HTR2AHTR2CKDM4E
SCHEMBL12950449 0.77 GPR84 (0.53) HTR2AHTR2C
SCHEMBL18164452 0.77 PARP1 (0.46) PARP1DAOALDH1A1LMNAPOLB
SCHEMBL31158762 0.77 GPR84 (0.53) HTR2AHTR2C
SCHEMBL29480917 0.77 PARP1 (0.50) PARP1HTR2AHTR2CALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3956320-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-11-29 EP claimed
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
CN-114174278-A Dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2022-03-11 CN 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 (3 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 PARP1 1582/4885DAO 212/4885JAK2 3682/4885
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD PARP1 1582/4885DAO 212/4885JAK2 3682/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD PARP1 1582/4885DAO 212/4885JAK2 3682/4885

“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.