SCHEMBL5377397

SCHEMBL5377397

CCCCN(CCCC)c1ccc(C=NCCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 6/20 0.45
KDM4E B2RXH2 5/20 0.45
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
MEN1 O00255 2/20 0.40
AR P10275 1/20 0.38
MAPT P10636 4/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 2/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
GFER P55789 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL5377395 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AGAAKDM4ECHRM2
SCHEMBL4899577 0.91 ALDH1A1 (0.47) ALDH1A1KMT2AGAAKDM4ECHRM2
SCHEMBL4899573 0.91 ALDH1A1 (0.47) ALDH1A1KMT2AGAAKDM4ECHRM2
SCHEMBL5379796 0.84 ALDH1A1 (0.64) ALDH1A1KMT2AGAAKDM4EMEN1
SCHEMBL5379791 0.84 ALDH1A1 (0.64) ALDH1A1KMT2AGAAKDM4EMEN1
SCHEMBL9915607 0.78 CHRM2 (0.53) ALDH1A1KMT2AGAAKDM4ECHRM2
SCHEMBL4602953 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AGAAKDM4EMEN1
SCHEMBL4602955 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AGAAKDM4EMEN1
SCHEMBL18321013 0.76 ALDH1A1 (0.57) ALDH1A1KMT2AGAAKDM4EMEN1
SCHEMBL20163323 0.76 ALDH1A1 (0.57) ALDH1A1KMT2AGAAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US disclosed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 US disclosed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 EP disclosed
EP-1715839-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 2006-11-02 EP disclosed
US-7105032-B2 Agents used for dyeing keratinous fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-12 US disclosed
WO-2005063178-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-07-14 WO disclosed
US-20050144740-A1 Agents used for dyeing keratinous fibers HENKEL AG & CO. KGAA (DE) 2005-07-07 US disclosed
EP-1534227-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-06-01 EP disclosed
WO-2004022016-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-03-18 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 (2 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-20050144740-A1 Agents used for dyeing keratinous fibers KRT18, TUBB3, DSG1 ALDH1A1 343/4885KMT2A 1260/4885GAA 4173/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 ALDH1A1 780/4885KMT2A 1075/4885GAA 4609/4885

“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.