SCHEMBL22552389

SCHEMBL22552389

CC(C)c1nn(-c2cccc(F)c2)c(=O)c2ccc(Br)cc12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.60
NLRP3 Q96P20 2/20 0.50
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
PIK3CD O00329 2/20 0.39
AHR P35869 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL29404935 1.00 DHODH (0.60) DHODHNLRP3RAB9ANPC1PIK3CD
SCHEMBL29403758 0.81 DHODH (0.50) DHODHRAB9ANPC1PIK3CDAHR
SCHEMBL22552352 0.81 DHODH (0.62) DHODHRAB9ANPC1AHRALDH1A1
SCHEMBL29401530 0.81 DHODH (0.62) DHODHRAB9ANPC1AHRALDH1A1
SCHEMBL22552316 0.78 DHODH (0.60) DHODHNLRP3KMT2A
SCHEMBL29401189 0.78 DHODH (0.60) DHODHNLRP3KMT2A
SCHEMBL22552377 0.76 DHODH (1.00) DHODH
SCHEMBL29401291 0.76 DHODH (1.00) DHODH
SCHEMBL19465610 0.70 KMT2A (0.49) DHODHPIK3CDKMT2A
SCHEMBL24076314 0.70 NLRP3 (0.65) NLRP3RAB9AKMT2A

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 8 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 disclosed
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
EP-3956320-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-02-23 EP disclosed
WO-2020212897-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2020-10-22 WO 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 1/4885NLRP3 2171/4885RAB9A 1598/4885
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD DHODH 1/4885NLRP3 2171/4885RAB9A 1598/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD DHODH 1/4885NLRP3 2171/4885RAB9A 1598/4885
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD DHODH 1/4885NLRP3 2171/4885RAB9A 1598/4885

“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.