SCHEMBL1074576

SCHEMBL1074576

CCCCCn1nc(Br)c(N)c1N

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
TLR8 Q9NR97 3/20 0.36
KDR P35968 5/20 0.33
SLC9A1 P19634 3/20 0.33
MPO P05164 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL5767901 0.79 TLR8 (0.37) CNR1CNR2TLR8KDRSLC9A1
SCHEMBL19642681 0.78 ALDH1A1 (0.37) CNR1CNR2TLR8KDRSLC9A1
SCHEMBL692768 0.76 KDR (0.36) CNR1CNR2TLR8KDRSLC9A1
SCHEMBL693035 0.76 ALDH1A1 (0.36) CNR1CNR2TLR8KDRSLC9A1
SCHEMBL695822 0.75 MPO (0.41) CNR1CNR2TLR8MPO
SCHEMBL1075036 0.75 CYP1A2 (0.41) MAPT
SCHEMBL1030046 0.74 KDR (0.34) CNR1CNR2TLR8KDRSLC9A1
SCHEMBL693498 0.74 ALDH1A1 (0.37) CNR1CNR2TLR8KDRSLC9A1
SCHEMBL693027 0.74 MPO (0.40) TLR8KDRSLC9A1MPO
SCHEMBL725352 0.74 MPO (0.40) TLR8KDRSLC9A1MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274286-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF The Procter & Gamble Company (US) 2011-01-19 EP claimed
US-7850742-B2 Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2010-12-14 US claimed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO claimed
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof NOXELL CORPORATION 2009-11-19 US claimed
EP-2274286-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF The Procter & Gamble Company (US) 2011-01-19 EP disclosed
US-7850742-B2 Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2010-12-14 US disclosed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO disclosed
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof NOXELL CORPORATION 2009-11-19 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-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof KRT18, TUBB3, PPOX CNR1 4671/4885CNR2 4620/4885TLR8 4457/4885

“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.