SCHEMBL5036893

SCHEMBL5036893

CCN(CCO)c1cc2[nH]c(N)nc2s1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
SLC29A1 Q99808 1/20 0.34
FABP6 P51161 1/20 0.33
PNP P00491 1/20 0.32
POLB P06746 1/20 0.31
PSMD14 O00487 1/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL5039651 0.92 FABP6 (0.33) FABP6POLB
SCHEMBL5040120 0.75 SLC29A1 (0.36) HTTSLC29A1NPC1MAPTRAB9A
SCHEMBL5041481 0.73 SLC29A1 (0.34) HTTSLC29A1
SCHEMBL5039495 0.72 PDE3B (0.36) HTTSLC29A1FABP6PNPPSMD14
SCHEMBL5036704 0.71 SLC29A1 (0.35) HTTSLC29A1FABP6PNPPSMD14
SCHEMBL5157942 0.69 NOS1 (0.37) HTTSLC29A1POLBNPC1MAPT
SCHEMBL5036554 0.69 ADORA2A (0.33)
SCHEMBL12192588 0.68 PNP (0.38) HTTSLC29A1PNPPSMD14NPC1
SCHEMBL14796347 0.68 BACE1 (0.45) HTTSLC29A1PNPPOLBKMT2A
SCHEMBL5036749 0.66 CYP2D6 (0.36) FABP6PNPPOLBMAPTKMT2A

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 7 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
CN-1917849-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-02-21 CN 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 HTT 2883/4885SLC29A1 4838/4885FABP6 1036/4885

“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.