SCHEMBL5496005

SCHEMBL5496005

Oc1cnc2cnccn12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.34
GAA P10253 6/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
FYN P06241 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
TP53 P04637 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
BRAF P15056 1/20 0.31
HTT P42858 1/20 0.31
PARP1 P09874 1/20 0.31
SALL4 Q9UJQ4 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
SCHEMBL997527 0.74 PRMT5 (0.35) MAPTGAAPRMT5WDR77TP53
SCHEMBL21623709 0.74 PRMT5 (0.32) MAPTGAAPRMT5WDR77TP53
SCHEMBL3151793 0.74 PRMT5 (0.32) MAPTGAAPRMT5WDR77TP53
SCHEMBL3151800 0.74 BRAF (0.37) MAPTGAAKDM4EALDH1A1PRMT5
SCHEMBL107328 0.74 GAA (0.33) MAPTGAAPRMT5WDR77TP53
SCHEMBL20380147 0.74 BRAF (0.37) MAPTGAAKDM4EALDH1A1PRMT5
SCHEMBL20543636 0.71 ABL1 (0.32) MAPTGAAKDM4EALDH1A1PRMT5
SCHEMBL1203406 0.71 NPC1 (0.35) KDM4EFYNPRMT5WDR77
SCHEMBL16324761 0.71 TGFBR1 (0.41)
SCHEMBL16392314 0.71 NPC1 (0.38) GAAKDM4EALDH1A1PRMT5WDR77

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-7306631-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-11 US disclosed
EP-1732509-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION The Procter and Gamble Company (US) 2006-12-20 EP disclosed
WO-2005097052-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION THE PROCTER & GAMBLE COMPANY (US) 2005-10-20 WO 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.