SCHEMBL23213984

SCHEMBL23213984

CCOC(=O)c1nc(Br)sc1C(C)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 1/20 0.44
HDAC4 P56524 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
PTPN2 P17706 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 2/20 0.40
TARBP2 Q15633 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSP90AA1 P07900 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL28897412 0.78 TRPM8 (0.41) ALDH1A1CYP1A2HDAC4HDAC6HDAC3
SCHEMBL8726638 0.77 ALDH1A1 (0.51) ALDH1A1CYP1A2HPGDGAATARBP2
SCHEMBL299269 0.77 GAA (0.56) ALDH1A1CYP1A2HPGDGAATARBP2
SCHEMBL22683752 0.76 ALDH1A1 (0.37) ALDH1A1CYP1A2HDAC4HDAC6HDAC3
SCHEMBL1919483 0.76 ALDH1A1 (0.68) ALDH1A1CYP1A2HPGDGAAMAPT
SCHEMBL2367363 0.74 ALDH1A1 (0.57) ALDH1A1CYP1A2HPGDGAAMAPT
SCHEMBL4971356 0.74 ALDH1A1 (0.49) ALDH1A1CYP1A2HPGDGAATARBP2
SCHEMBL595444 0.74 ALDH1A1 (0.49) ALDH1A1CYP1A2HPGDGAATARBP2
SCHEMBL22831637 0.74 KDM4E (0.36) ALDH1A1CYP1A2HDAC4HDAC6HDAC3
SCHEMBL15251297 0.73 ALDH1A1 (0.55) ALDH1A1CYP1A2HPGDGAATARBP2

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 ALDH1A1 54/4885CYP1A2 259/4885HDAC4 1114/4885

“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.