SCHEMBL3825307

SCHEMBL3825307

NCc1nnc(CC(=O)O)o1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
NR4A2 P43354 2/20 0.36
NR4A1 P22736 1/20 0.36
NR4A3 Q92570 1/20 0.36
CYP1A2 P05177 1/20 0.34
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
OR51E2 Q9H255 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATR Q13535 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
SCHEMBL3822232 0.83 NOTUM (0.37) NOTUM
SCHEMBL3825303 0.75 NR4A1 (0.34) NR4A2NR4A1NR4A3CYP1A2SMN1; SMN2
SCHEMBL10997285 0.74 NR4A2 (0.36) NR4A2NR4A1NR4A3CYP1A2SMN1; SMN2
SCHEMBL14532527 0.72 HSD17B10 (0.38) NR4A2NR4A1NR4A3SMN1; SMN2
Oxalic Acid SCHEMBL940089 0.71 NOTUM (0.39) NOTUMHDAC8SMN1; SMN2
SCHEMBL3828038 0.70 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL25365202 0.70 NOTUM (0.37) NOTUM
SCHEMBL9335344 0.69 HSD17B10 (0.36) NR4A2NR4A1NR4A3SMN1; SMN2
SCHEMBL17653881 0.69 EPHX2 (0.35) NR4A2NR4A1NR4A3
SCHEMBL24665870 0.69 HDAC6 (0.43) NR4A2NR4A1NR4A3SMN1; SMN2ATR

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
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP claimed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US claimed
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 NOTUM 298/4885NR4A2 3752/4885NR4A1 3641/4885

“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.