SCHEMBL5039258

SCHEMBL5039258

Cn1ccc2oc(N)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
PIK3CB P42338 3/20 0.35
PRKCI P41743 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
MTOR P42345 12/20 0.33
PIK3CA P42336 9/20 0.33
RICTOR Q6R327 8/20 0.33
RPTOR Q8N122 8/20 0.33
MAPKAP1 Q9BPZ7 8/20 0.33
MLST8 Q9BVC4 8/20 0.33
PIK3CD O00329 2/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
HDAC6 Q9UBN7 1/20 0.31
DHFR P00374 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
SCHEMBL5039829 0.77 GAA (0.34) MAPT
SCHEMBL5041023 0.75 KDM4E (0.31)
SCHEMBL5041236 0.72 ELANE (0.36)
SCHEMBL13573819 0.68 PIK3CB (0.44) PIK3CBPRKCIHRH4MTORPIK3CA
SCHEMBL5039498 0.68 LMNA (0.34) PIK3CGLMNACYP1A2MAPTTHRB
SCHEMBL27672682 0.67 ESR2 (0.50) PIK3CBPIK3CAHDAC6
SCHEMBL19203898 0.64 PIK3CB (0.41) LMNAMAPTPIK3CBPRKCIHRH4
SCHEMBL5040233 0.64
SCHEMBL27672673 0.63 AR (0.42) HRH4MTORPIK3CARICTORRPTOR
SCHEMBL5039704 0.62 PRKCI (0.42) MAPTPIK3CBPRKCIDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 WO 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B PIK3CG 1703/4885LMNA 351/4885CYP1A2 762/4885

“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.