SCHEMBL5752950

SCHEMBL5752950

COc1ccc([N+](=O)[O-])c(N2CCC(NC(C)=O)C2)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 6/20 0.48
SMPD3 Q9NY59 6/20 0.45
ALDH1A1 P00352 2/20 0.43
OPRK1 P41145 3/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OGFRL1 Q5TC84 2/20 0.43
AKT1 P31749 1/20 0.42
CNR2 P34972 1/20 0.42
SUV39H2 Q9H5I1 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
SCHEMBL5219253 0.85 TXNRD1 (0.47) TXNRD1ALDH1A1OPRK1
SCHEMBL2270852 0.82 SMPD3 (0.48) SMPD3OPRK1OPRM1OPRD1OGFRL1
SCHEMBL2689490 0.79 TDP1 (0.52) TXNRD1ALDH1A1
SCHEMBL5754970 0.77 TXNRD1 (0.48) TXNRD1ALDH1A1
Hydrochloric Acid SCHEMBL5220902 0.76 TXNRD1 (0.49) TXNRD1ALDH1A1
SCHEMBL5752857 0.75 ALDH1A1 (0.64) TXNRD1ALDH1A1
SCHEMBL2421463 0.75 ALDH1A1 (0.64) TXNRD1ALDH1A1
SCHEMBL3281560 0.75 OPRK1 (0.40) TXNRD1ALDH1A1OPRK1
SCHEMBL6509373 0.74 TXNRD1 (0.47) TXNRD1ALDH1A1
SCHEMBL5385948 0.73 HPGD (0.54) SMPD3ALDH1A1AKT1SUV39H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1336606-B1 6-Alkoxy-2,3-diaminopyridine couplers for dyeing keratin fibers OREAL (FR) 2006-12-27 EP disclosed
US-6916345-B2 6-alkoxy-2,3-diaminopyridine couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2005-07-12 US disclosed
US-20030226216-A1 Novel 6-alkoxy-2,3-diaminopyridine couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2003-12-11 US disclosed
EP-1336606-A1 6-Alkoxy-2,3-diaminopyridine couplers for dying keratin fibers L'OREAL (FR) 2003-08-20 EP 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-20030226216-A1 Novel 6-alkoxy-2,3-diaminopyridine couplers for dyeing keratin fibres KRT18, DSP, DPYD TXNRD1 1135/4885SMPD3 2822/4885ALDH1A1 170/4885

“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.