SCHEMBL2537594

SCHEMBL2537594

COc1ccc(N)c(NC(O)C(C)O)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
TAAR1 Q96RJ0 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CRHR1 P34998 1/20 0.30
TXNRD1 Q16881 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
SCHEMBL156899 0.87 NNMT (0.36) NNMTSIRT2SIRT1TAAR1POLB
SCHEMBL27218090 0.83 APP (0.42) NNMTSIRT2SIRT1TAAR1CRHR1
SCHEMBL624443 0.81 SIRT2 (0.36) NNMTSIRT2SIRT1TAAR1POLB
SCHEMBL2271202 0.80 PDE5A (0.37) NNMTSIRT2SIRT1
SCHEMBL6925238 0.79 POLB (0.34) NNMTSIRT2SIRT1POLBTDP1
SCHEMBL2269199 0.78 TLR8 (0.39) NNMTSIRT2SIRT1CRHR1
SCHEMBL6257710 0.77 PDE5A (0.37) NNMTSIRT2SIRT1
SCHEMBL1415317 0.75 NNMT (0.34) NNMTSIRT2SIRT1POLBTDP1
SCHEMBL29378197 0.74 SIRT2 (0.41) NNMTSIRT2SIRT1POLBTDP1
SCHEMBL95212 0.74 SIRT2 (0.41) NNMTSIRT2SIRT1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8043385-B2 Composition oxidation colouring of keratinic fibres, containing a cationic cellulose ether, a metasilicate and oxidation dyes, method for oxidation colouring and uses thereof L'OREAL S.A. (FR) 2011-10-25 US disclosed
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL S.A. (FR) 2010-10-21 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-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF KRT18, TUBB3, VIM NNMT 818/4885SIRT2 1618/4885SIRT1 1801/4885

“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.