SCHEMBL5039495

SCHEMBL5039495

CCN(CCO)c1cc2[nH]c(N)nc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
SLC29A1 Q99808 2/20 0.36
HTT P42858 1/20 0.35
PNP P00491 3/20 0.33
MAP2K7 O14733 1/20 0.32
FABP6 P51161 1/20 0.32
STK4 Q13043 1/20 0.32
STK3 Q13188 1/20 0.32
MAPT P10636 2/20 0.32
PSMD14 O00487 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PLAU P00749 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
SCHEMBL5036534 0.91 PLAU (0.33) PDE3BPDE3APNPFABP6KMT2A
SCHEMBL12192588 0.78 PNP (0.38) PDE3BPDE3ASLC29A1HTTPNP
SCHEMBL5041342 0.75 SLC29A1 (0.34) SLC29A1HTTSTK4STK3MAPT
SCHEMBL5036258 0.75 SLC29A1 (0.34) SLC29A1HTTSTK4STK3MAPT
SCHEMBL5036704 0.73 SLC29A1 (0.35) SLC29A1HTTPNPFABP6MAPT
SCHEMBL5036893 0.72 HTT (0.36) SLC29A1HTTPNPFABP6MAPT
SCHEMBL14796347 0.70 BACE1 (0.45) SLC29A1HTTPNPKMT2A
SCHEMBL5174154 0.67 SLC29A1 (0.35) SLC29A1HTTSTK4STK3MAPT
SCHEMBL5039618 0.67 ADORA2A (0.35) PDE3BPDE3APNP
SCHEMBL5044558 0.66 PLAU (0.33) FABP6PLAU

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
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
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B PDE3B 4553/4885PDE3A 4462/4885SLC29A1 4838/4885

“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.