SCHEMBL5894666

SCHEMBL5894666

[O-][n+]1cnc2ccncc2c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
EGFR P00533 1/20 0.32
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
METAP2 P50579 1/20 0.30
METAP1 P53582 1/20 0.30
CYP2A6 P11509 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
SCHEMBL5894697 0.84 MAP4K4 (0.33) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL4794889 0.75 ALDH1A1 (0.48) KDM4EALDH1A1EGFRPDGFRBPDGFRA
SCHEMBL31187649 0.71 EGFR (0.48) EGFR
SCHEMBL7705964 0.71 CSNK1D (0.36) CSNK1DCSNK1ECLK1DYRK1A
SCHEMBL2989390 0.69 PRKCZ (0.35) KDM4ECSNK1DCSNK1ECLK1DYRK1A
SCHEMBL2986767 0.69 CYP19A1 (0.33) KDM4ECSNK1DCSNK1ECLK1DYRK1A
SCHEMBL27977580 0.69 NR4A2 (0.39) ALDH1A1DYRK1APDGFRBPDGFRAMETAP2
SCHEMBL25954945 0.68
SCHEMBL137377 0.67 EGFR (0.60) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL29409337 0.67 EGFR (0.60) KDM4EALDH1A1HTTNCOA1NCOA3

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-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 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-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, TUBB6, DNMT1 KDM4E 571/4885ALDH1A1 385/4885HTT 3950/4885

“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.