SCHEMBL5753176

SCHEMBL5753176

COc1ccc([N+](=O)[O-])c(N2C(C)CCC2C)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 18/20 0.54
S1PR4 O95977 2/20 0.45
MAPT P10636 2/20 0.45
S1PR1 P21453 2/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RAB9A P51151 1/20 0.45
GFER P55789 1/20 0.45
PAX8 Q06710 1/20 0.45
JAK2 O60674 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HTT P42858 1/20 0.44
GSR P00390 2/20 0.43

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
SCHEMBL5751204 0.82 TXNRD1 (0.52) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL5752857 0.78 ALDH1A1 (0.64) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL2421463 0.78 ALDH1A1 (0.64) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL5754970 0.78 TXNRD1 (0.48) TXNRD1MAPTMAPK1NPSR1HSP90AA1
Hydrochloric Acid SCHEMBL5220902 0.78 TXNRD1 (0.49) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL26089650 0.77 POLB (0.48) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL26089775 0.77 POLB (0.48) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL8569551 0.77 TXNRD1 (0.50) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL5753875 0.76 SIRT6 (0.54) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL30435070 0.76 SIRT6 (0.54) TXNRD1S1PR4MAPTS1PR1MAPK1

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 1135/4885S1PR4 3918/4885MAPT 1090/4885

“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.