SCHEMBL31389306

SCHEMBL31389306

Nc1cnn(CC(O)O)c1N

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA4 P48058 1/20 0.30
GRIK5 Q16478 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
SCHEMBL5407292 0.85 THRB (0.32) TSHR
SCHEMBL5391855 0.84 LMNA (0.38) TSHR
SCHEMBL5399382 0.83 ADA (0.33) TSHR
Bromide SCHEMBL5387970 0.82 LMNA (0.37) TSHR
SCHEMBL5390248 0.82 ADORA2A (0.36) TSHR
SCHEMBL5386625 0.81 TSHR (0.33) TSHR
SCHEMBL5389139 0.81 TSHR (0.30) TSHR
Bromide SCHEMBL5386504 0.81 ADORA2A (0.36) TSHR
SCHEMBL5382982 0.81 TSHR (0.33) TSHR
SCHEMBL3943493 0.81 TSHR (0.34) TSHRGRIA1GRIA2GRIA4GRIK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250025395-A1 Means for Oxidatively Dyeing Keratin Fibers HENKEL AG & CO. KGAA (DE) 2025-01-23 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-20250025395-A1 Means for Oxidatively Dyeing Keratin Fibers KRT18, SQOR, ADH4 TSHR 4573/4885GRIA1 3128/4885GRIA2 3293/4885

“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.