SCHEMBL5754304

SCHEMBL5754304

COc1ccc([N+](=O)[O-])c(N2CCOCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 8/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
MAPT P10636 7/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CTSB P07858 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL5752857 0.87 ALDH1A1 (0.64) TXNRD1CYP1A2CYP2C9MAPTALDH1A1
SCHEMBL2421463 0.87 ALDH1A1 (0.64) TXNRD1CYP1A2CYP2C9MAPTALDH1A1
SCHEMBL30435070 0.85 SIRT6 (0.54) TXNRD1MAPTALDH1A1MAPK1POLB
SCHEMBL5753875 0.85 SIRT6 (0.54) TXNRD1MAPTALDH1A1MAPK1POLB
SCHEMBL20502406 0.81 TXNRD1 (0.49) TXNRD1CYP1A2CYP2C9MAPTMAPK1
Hydrochloric Acid SCHEMBL5220902 0.81 TXNRD1 (0.49) TXNRD1MAPTALDH1A1MAPK1POLB
SCHEMBL21627197 0.79 CYP1A2 (0.59) CYP1A2CYP2C9MAPTALDH1A1MAPK1
SCHEMBL3239219 0.79 CYP1A2 (0.59) TXNRD1CYP1A2CYP2C9MAPTALDH1A1
SCHEMBL6509373 0.79 TXNRD1 (0.47) TXNRD1MAPTALDH1A1MAPK1POLB
SCHEMBL14334303 0.79 TXNRD1 (0.51) TXNRD1MAPTALDH1A1MAPK1POLB

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
WO-2016006921-A1 ACUTE MYELOID LEUKEMIA TARGETED THERAPEUTIC AGENT WITH REDUCED DRUG SIDE EFFECTS 한국과학기술연구원 2016-01-14 WO disclosed
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 1135/4885CYP1A2 1721/4885CYP2C9 1878/4885

“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.