SCHEMBL21645330

SCHEMBL21645330

O=c1ccc2c(Br)ccc(/C=N/O)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
DRD2 P14416 3/20 0.32
DRD4 P21917 3/20 0.32
DRD3 P35462 3/20 0.32
ALDH1A1 P00352 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HCAR1 Q9BXC0 2/20 0.31
HTR2A P28223 1/20 0.30
TYMS P04818 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
SCHEMBL21645331 1.00 CA12 (0.37) CA12CA9DRD2DRD4DRD3
SCHEMBL23855213 0.80 CA12 (0.41) CA12CA9ALDH1A1PDE3BPDE3A
SCHEMBL12559630 0.69 CA12 (0.43) CA12CA9DRD2DRD4DRD3
SCHEMBL31575217 0.69 CA12 (0.43) CA12CA9DRD2DRD4DRD3
SCHEMBL2516694 0.67 HPGD (0.46) ALDH1A1HPGDHTT
SCHEMBL13249042 0.67 HPGD (0.46) ALDH1A1HPGDHTT
SCHEMBL2516696 0.67 HPGD (0.46) ALDH1A1HPGDHTT
SCHEMBL21645274 0.67 CA12 (0.41) CA12CA9DRD2PDE3BPDE3A
SCHEMBL10570223 0.66 CA12 (0.47) CA12CA9DRD2DRD4DRD3
SCHEMBL21645262 0.66 UPP1 (0.49) CA12CA9ALDH1A1PDE3BPDE3A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 US disclosed
EP-3830080-A1 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2021-06-09 EP disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CA12 4718/4885CA9 4280/4885DRD2 4126/4885

“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.