SCHEMBL5489446

SCHEMBL5489446

Oc1nc(O)n2ccncc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
GAA P10253 5/20 0.54
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL5489162 0.64 SSTR4 (0.36) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL21917175 0.64 PDE2A (0.35) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL21863289 0.62 MAPT (0.40) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL5495404 0.61 GAA (0.32) MAPTGAAKDM4E
SCHEMBL23429365 0.61 SALL4 (0.39) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL31164467 0.60 MAPT (0.44) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL21849351 0.60 MAPT (0.43) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL16517145 0.60 MAPT (0.43) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL24097741 0.60 GAA (0.38) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL21848995 0.59 MAPT (0.37) MAPTGAAKDM4EALDH1A1HTT

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-7306631-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-11 US disclosed
US-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-20 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-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, JUP MAPT 874/4885GAA 4403/4885KDM4E 1275/4885

“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.