SCHEMBL22552352

SCHEMBL22552352

CCc1nn(-c2cccc(F)c2)c(=O)c2ccc(Br)cc12

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.62
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAT2A P31153 1/20 0.39
KHK P50053 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
POLB P06746 1/20 0.35
AHR P35869 1/20 0.35
KMT2A Q03164 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
SCHEMBL29401530 1.00 DHODH (0.62) DHODHNPC1RAB9AMAT2AKHK
SCHEMBL22552389 0.81 DHODH (0.60) DHODHNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL29404935 0.81 DHODH (0.60) DHODHNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL22552252 0.77 DHODH (1.00) DHODH
SCHEMBL29401296 0.77 DHODH (1.00) DHODH
SCHEMBL22552298 0.76 DHODH (0.59) DHODHNPC1RAB9AMAPTALDH1A1
SCHEMBL6237284 0.70 ALDH1A1 (0.67) NPC1RAB9AKHKMAPTALDH1A1
SCHEMBL6795458 0.69 KHK (0.49) KHKPDE4APDE4BPDE4CPDE4D
SCHEMBL2551135 0.69 KHK (0.61) KHKALDH1A1L3MBTL1MAPK1
SCHEMBL22721712 0.69 GAA (0.48) DHODHNPC1RAB9AMAPTALDH1A1

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 7 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
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 1/4885NPC1 896/4885RAB9A 1598/4885
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD DHODH 1/4885NPC1 896/4885RAB9A 1598/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD DHODH 1/4885NPC1 896/4885RAB9A 1598/4885
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD DHODH 1/4885NPC1 896/4885RAB9A 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.