SCHEMBL5378361

SCHEMBL5378361

COc1ccc(/C=N/CCO)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 1/20 0.53
ERN1 O75460 2/20 0.49
GCGR P47871 3/20 0.48
CA12 O43570 1/20 0.48
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
CAPN1 P07384 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
ABCB1 P08183 1/20 0.43
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41

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
SCHEMBL5378363 1.00 CHAT (0.53) CHATERN1GCGRCA12MAPT
SCHEMBL5393104 0.81 ERN1 (0.59) CHATERN1GCGRCA12MAPT
SCHEMBL5384750 0.81 ERN1 (0.49) CHATERN1GCGRCA12MAPT
SCHEMBL5393100 0.81 ERN1 (0.59) CHATERN1GCGRCA12MAPT
SCHEMBL5384748 0.81 ERN1 (0.49) CHATERN1GCGRCA12MAPT
SCHEMBL5391177 0.81 CA12 (0.61) ERN1CA12MAPTMEN1KMT2A
SCHEMBL31299162 0.81 CA12 (0.61) ERN1CA12MAPTMEN1KMT2A
SCHEMBL5391175 0.81 CA12 (0.61) ERN1CA12MAPTMEN1KMT2A
SCHEMBL5397183 0.78 ERN1 (0.51) ERN1CA12MAPTMEN1KMT2A
SCHEMBL5397187 0.78 ERN1 (0.51) ERN1CA12MAPTMEN1KMT2A

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 CHAT 1270/4885ERN1 3791/4885GCGR 4868/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 CHAT 612/4885ERN1 2205/4885GCGR 3398/4885

“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.