SCHEMBL28816610

SCHEMBL28816610

C[C@H](O)c1nc(Br)cn1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK1 P28482 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
SCHEMBL28948099 1.00 ALDH1A1 (0.35) ALDH1A1TDP1IRAK4SMN1; SMN2MEN1
SCHEMBL29441617 1.00 ALDH1A1 (0.35) ALDH1A1TDP1IRAK4SMN1; SMN2MEN1
SCHEMBL9460003 1.00 ALDH1A1 (0.35) ALDH1A1TDP1IRAK4SMN1; SMN2MEN1
SCHEMBL23213688 0.77 HTT (0.33) ALDH1A1
SCHEMBL26299063 0.77 IRAK4 (0.39) ALDH1A1TDP1IRAK4SMN1; SMN2MEN1
SCHEMBL29457213 0.71 CSNK2A1 (0.33)
Hydrochloric Acid SCHEMBL9460187 0.69 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL370296 0.68 IRAK4 (0.48) ALDH1A1TDP1IRAK4SMN1; SMN2MEN1
SCHEMBL4912537 0.67
SCHEMBL29441623 0.64 CSNK2A1 (0.33) TDP1

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 5 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

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 54/4885TDP1 793/4885IRAK4 3119/4885

“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.