SCHEMBL3828038

SCHEMBL3828038

NCc1nnc(CC(=O)OC(=O)C(F)(F)F)o1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3822584 0.72 SMN1; SMN2 (0.56) SMN1; SMN2
SCHEMBL3822232 0.70 NOTUM (0.37)
SCHEMBL3825307 0.70 NOTUM (0.41) SMN1; SMN2
SCHEMBL1681610 0.67 GLRA1 (0.30)
Ammonia Solution, Strong SCHEMBL16108738 0.66
SCHEMBL3828142 0.65 NOTUM (0.46) SMN1; SMN2
SCHEMBL27663022 0.64 HDAC6 (0.32)
SCHEMBL22605826 0.62 ALDH1A1 (0.38)
SCHEMBL25289198 0.62 ALDH1A1 (0.33)
SCHEMBL9945858 0.61 CES1 (0.58) SMN1; 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
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 SMN1; SMN2 4002/4885

“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.