SCHEMBL22552298

SCHEMBL22552298

CCc1nn(-c2ccccc2C)c(=O)c2ccc(Br)cc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.59
CASP3 P42574 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
ALOX15 P16050 2/20 0.39
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.36
AKR1B1 P15121 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TP53 P04637 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
SCHEMBL29404316 0.78 DHODH (0.46) DHODHNPC1RAB9APDE4APDE4B
SCHEMBL29401530 0.76 DHODH (0.62) DHODHNPC1RAB9APDE4APDE4B
SCHEMBL22552352 0.76 DHODH (0.62) DHODHNPC1RAB9APDE4APDE4B
SCHEMBL22552143 0.74 DHODH (1.00) DHODH
SCHEMBL29401606 0.74 DHODH (1.00) DHODH
SCHEMBL24077161 0.70 ALOX15 (0.68) RAB9AALOX15MAPTTSHRHSD17B10
SCHEMBL30168552 0.70 ALOX15 (0.68) RAB9AALOX15MAPTTSHRHSD17B10
SCHEMBL24076933 0.70 ALOX15 (0.44) ALOX15MAPTHSD17B10AKR1B1
SCHEMBL20150578 0.69 CCNE2 (0.41) CASP3MAPTTP53
SCHEMBL24287437 0.69 PLK1 (0.48) CASP3NPC1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174278-B Dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2024-08-23 CN disclosed
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
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2020-10-22 US disclosed
WO-2020212897-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2020-10-22 WO 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 1/4885CASP3 3566/4885NPC1 896/4885
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD DHODH 1/4885CASP3 3566/4885NPC1 896/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD DHODH 1/4885CASP3 3566/4885NPC1 896/4885
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD DHODH 1/4885CASP3 3566/4885NPC1 896/4885

“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.