SCHEMBL5394265

SCHEMBL5394265

COc1ccc(OC)c(C=NCCO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.54
CA2 P00918 2/20 0.50
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
JUN P05412 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP1A1 P04798 2/20 0.49
CYP1B1 Q16678 2/20 0.49
NFE2L2 Q16236 2/20 0.49
CYP1A2 P05177 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.46
CA12 O43570 1/20 0.45
KDM4E B2RXH2 4/20 0.45
GAA P10253 3/20 0.44

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
SCHEMBL5394260 1.00 ERN1 (0.54) ERN1CA2KMT2AMEN1ALDH1A1
SCHEMBL5384310 0.88 GRIN2D (0.56) ERN1CA2KMT2AMEN1ALDH1A1
SCHEMBL5384314 0.88 GRIN2D (0.56) ERN1CA2KMT2AMEN1ALDH1A1
SCHEMBL22925067 0.82 CYP1A1 (0.53) CA2KMT2AMEN1ALDH1A1MAPT
SCHEMBL5389472 0.81 CA2 (0.60) ERN1CA2KMT2AMEN1ALDH1A1
SCHEMBL5389476 0.81 CA2 (0.60) ERN1CA2KMT2AMEN1ALDH1A1
SCHEMBL18710315 0.81 CA2 (0.47) ERN1CA2KMT2AMEN1ALDH1A1
SCHEMBL5378039 0.80 ERN1 (0.59) ERN1KMT2AMEN1ALDH1A1MAPT
SCHEMBL5378032 0.80 ERN1 (0.59) ERN1KMT2AMEN1ALDH1A1MAPT
SCHEMBL5389209 0.80 ERN1 (0.52) ERN1CA2KMT2AALDH1A1CYP1A1

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 5 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
US-7105032-B2 Agents used for dyeing keratinous fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-12 US disclosed
US-20050144740-A1 Agents used for dyeing keratinous fibers HENKEL AG & CO. KGAA (DE) 2005-07-07 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 (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 ERN1 3791/4885CA2 2517/4885KMT2A 1260/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 ERN1 2205/4885CA2 610/4885KMT2A 1075/4885

“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.