SCHEMBL23214411

SCHEMBL23214411

CCCn1cc(C)nc(Br)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.38
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BRD4 O60885 1/20 0.34
ADORA2B P29275 2/20 0.33
PIK3CA P42336 1/20 0.33
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GRM5 P41594 1/20 0.33
USP2 O75604 1/20 0.32

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
SCHEMBL23214051 0.76 ALDH1A1 (0.37) TYRALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL23240271 0.76 TYR (0.36) TYRALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL4338963 0.72 GRM5 (0.37) TYRALDH1A1SMN1; SMN2KDM4ECYP1A2
Bromide SCHEMBL29287564 0.71 GRM5 (0.36) TYRALDH1A1ADORA2BADORA2AGRM5
Iodide SCHEMBL669031 0.71 GRM5 (0.36) TYRALDH1A1ADORA2BADORA2AGRM5
SCHEMBL23121684 0.70 TYR (0.40) TYRALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL9645498 0.69 CYP19A1 (0.45) TYRALDH1A1SMN1; SMN2GRM5LMNA
SCHEMBL23121804 0.69 TYR (0.42) TYRALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL923585 0.69 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2ADORA2BPDE4AADORA2A
SCHEMBL925383 0.68 BRD4 (0.35) ALDH1A1BRD4

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 TYR 357/4885ALDH1A1 54/4885SMN1; SMN2 3813/4885

“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.