SCHEMBL23213937

SCHEMBL23213937

CCc1c(C(=O)OC)nc(Br)n1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
KDM4C Q9H3R0 1/20 0.31
TNF P01375 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
STAT5B P51692 1/20 0.30

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
SCHEMBL19385591 0.79 NPSR1 (0.50) NPSR1L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21879989 0.79 NPSR1 (0.50) NPSR1L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL23214476 0.75 NPSR1 (0.36) NPSR1L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7508757 0.74 PDE4A (0.39) KDM4EALDH1A1KMT2AADORA2ATNF
SCHEMBL8352410 0.71 NPSR1 (0.45) NPSR1L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL15071850 0.69 NPSR1 (0.41) NPSR1L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3369577 0.68 KMT2A (0.44) KDM4EALDH1A1KMT2AADORA2ATNF
SCHEMBL21880088 0.67 NPSR1 (0.39) NPSR1L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL31134762 0.67 NPSR1 (0.39) NPSR1L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL17130223 0.67 KDM4E (0.44) NPSR1L3MBTL1KDM4EALDH1A1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114630822-B Biaryl dihydroorotate acid dehydrogenase inhibitors 詹森生物科技公司 2024-10-01 CN disclosed
US-20240158414-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2024-05-16 US disclosed
EP-4041714-B1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-13 EP disclosed
EP-4041714-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-08-17 EP disclosed
CN-114630822-A Biaryl dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2022-06-14 CN disclosed
WO-2021070132-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-04-15 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 (1 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-20240158414-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD NPSR1 4442/4885L3MBTL1 1251/4885KDM4E 1665/4885

“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.