SCHEMBL5495213

SCHEMBL5495213

CNn1c(O)cc2occc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
HTR1B P28222 2/20 0.30
FTO Q9C0B1 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
SCHEMBL5039658 0.75 KDM1A (0.46) KDM1ARCOR1MAPTGAATHRB
SCHEMBL5172412 0.72 KDM1A (0.34) KDM1ARCOR1MAPTGAATHRB
SCHEMBL5173083 0.71 KDM1A (0.33) KDM1ARCOR1MAPTGAAFTO
SCHEMBL5173801 0.70 MAPT (0.37) KDM1ARCOR1MAPTGAATHRB
SCHEMBL5172605 0.67 SMN1; SMN2 (0.33) KDM1ARCOR1MAPTGAATHRB
SCHEMBL5170746 0.63 MAPT (0.37) KDM1ARCOR1MAPTTHRBSMN1; SMN2
SCHEMBL5039834 0.59 KDM1A (0.43) KDM1ARCOR1MAPTGAATHRB
SCHEMBL5171222 0.59
SCHEMBL5172490 0.59 KDM1A (0.33) KDM1ARCOR1MAPTGAA
SCHEMBL5040102 0.59 KDM1A (0.43) KDM1ARCOR1MAPTGAAHTT

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
US-7276089-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-10-02 US claimed
US-20060042025-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof NOXELL CORPORATION 2006-03-02 US claimed
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 KDM1A 366/4885RCOR1 3357/4885MAPT 1271/4885

“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.