SCHEMBL5492567

SCHEMBL5492567

Nc1cc2occc2n1N

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
DYRK1A Q13627 3/20 0.32
CDK9 P50750 1/20 0.32
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 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
SCHEMBL23346807 0.77 GAA (0.33) GAADYRK1ACDK9KDM1ARCOR1
SCHEMBL5172490 0.77 KDM1A (0.33) GAADYRK1ACDK9KDM1ARCOR1
SCHEMBL5173083 0.77 KDM1A (0.33) GAAKDM1ARCOR1
SCHEMBL5040102 0.77 KDM1A (0.43) GAADYRK1ACDK9KDM1ARCOR1
SCHEMBL5172412 0.61 KDM1A (0.34) GAAKDM1ARCOR1
SCHEMBL5039658 0.60 KDM1A (0.46) GAAKDM1ARCOR1
SCHEMBL5036385 0.59
SCHEMBL23815084 0.59
SCHEMBL4415644 0.57 CYP3A4 (0.42) DYRK1ACDK9
SCHEMBL5039952 0.57 KDM1A (0.41) GAAKDM1ARCOR1

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-7276089-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-10-02 US disclosed
US-20060042025-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof NOXELL CORPORATION 2006-03-02 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-20060042025-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C GAA 3692/4885DYRK1A 2383/4885CDK9 1178/4885

“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.