SCHEMBL6068852

SCHEMBL6068852

CC(CC(N)=O)n1ncc(N)c1N1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.33
GAA P10253 2/20 0.33
KMO O15229 1/20 0.32
MAPT P10636 2/20 0.32
AOC3 Q16853 2/20 0.31
LNPEP Q9UIQ6 1/20 0.31
SMPD3 Q9NY59 2/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ACACB O00763 1/20 0.30
GRM2 Q14416 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL14445198 0.78 KMO (0.37) KMOMAPT
SCHEMBL6068788 0.78 SMPD3 (0.32) SMPD3
SCHEMBL6068886 0.74 KMO (0.35) KMO
SCHEMBL6068792 0.71 SMPD3 (0.33) SMPD3
SCHEMBL6069260 0.70 KMO (0.42) GAAKMOLNPEPPOLB
SCHEMBL6068966 0.66 SCN9A (0.36) GAAKMO
SCHEMBL14445241 0.66 KMO (0.49) KMOMAPTPOLBSMN1; SMN2
SCHEMBL14838485 0.66 SMPD3 (0.40) SMPD3SMN1; SMN2
SCHEMBL6068751 0.64 SMPD3 (0.33) AOC3SMPD3
SCHEMBL6068725 0.64

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-7091350-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2006-08-15 US disclosed
US-20040088802-A1 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL S.A. (FR) 2004-05-13 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-20040088802-A1 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres CBR3, CBR1, CYB5R3 PLAU 4661/4885GAA 4450/4885KMO 898/4885

“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.