SCHEMBL20320680

SCHEMBL20320680

CCCCc1nc(C)ns1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
NOS2 P35228 1/20 0.32
NPY5R Q15761 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP2C9 P11712 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL16548433 0.86
SCHEMBL11793170 0.77 ALDH1A1 (0.36) ALDH1A1NPSR1
SCHEMBL11788600 0.71 ALDH1A1 (0.39) ALDH1A1NPSR1CYP2C9
SCHEMBL8581050 0.66 ALDH1A1 (0.39) ALDH1A1NPSR1CYP2C9
SCHEMBL11508078 0.65 NPC1 (0.40) ALDH1A1TLR8TLR7SMN1; SMN2
SCHEMBL13801060 0.65 ALDH1A1 (0.45) ALDH1A1NOS2NPSR1CYP2C9TLR8
SCHEMBL20320648 0.65 NOS2 (0.36) NOS2SMN1; SMN2
Hydrochloric Acid SCHEMBL27645966 0.64 ALDH1A1 (0.30) ALDH1A1
SCHEMBL14368391 0.64 NPY5R (0.36) ALDH1A1NPY5R
SCHEMBL11570650 0.64 SLC6A3 (0.42) ALDH1A1NOS2TLR8TLR7SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS ALDH1A1 201/4885NOS2 157/4885NPY5R 3437/4885

“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.