SCHEMBL5206660

SCHEMBL5206660

O=[N+]([O-])c1ccc(N2CCCN(CCO)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
MAPT P10636 2/20 0.60
HTR1A P08908 2/20 0.58
SIRT6 Q8N6T7 1/20 0.57
KMT2A Q03164 1/20 0.56
POLB P06746 3/20 0.54
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL6151796 0.94 SIRT6 (0.64) LMNAMAPTHTR1ASIRT6KMT2A
SCHEMBL2717022 0.94 SIRT6 (0.64) LMNAMAPTHTR1ASIRT6KMT2A
SCHEMBL5780433 0.88 KMT2A (0.58) LMNAMAPTHTR1ASIRT6KMT2A
SCHEMBL5209234 0.87 MAPT (0.67) LMNAMAPTHTR1ASIRT6KMT2A
SCHEMBL12431530 0.87 MAPT (0.70) LMNAMAPTHTR1ASIRT6KMT2A
SCHEMBL4817023 0.86 SIRT6 (0.71) MAPTHTR1ASIRT6KMT2APOLB
SCHEMBL10511652 0.86 LMNA (0.68) LMNAMAPTHTR1ASIRT6KMT2A
SCHEMBL5743368 0.86 HTR1A (0.61) LMNAMAPTHTR1ASIRT6KMT2A
SCHEMBL7048817 0.83 MAPT (0.85) LMNAMAPTSIRT6KMT2APOLB
SCHEMBL9436570 0.83 HTR1A (0.58) LMNAMAPTHTR1ASIRT6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417184-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL OREAL (FR) 2007-08-29 EP disclosed
EP-1417184-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL OREAL (FR) 2007-08-29 EP disclosed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US disclosed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US disclosed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US disclosed
US-20050102769-A1 Composition for dyeing keratinous fibers containing a paraphenylenediamine substituted by a diazacycloheptane radical L'OREAL S.A. (FR) 2005-05-19 US disclosed
EP-1417184-A1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL L'OREAL (FR) 2004-05-12 EP disclosed
WO-2003014093-A1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL L'OREAL (FR) 2003-02-20 WO 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-20050102769-A1 Composition for dyeing keratinous fibers containing a paraphenylenediamine substituted by a diazacycloheptane radical KRT18, HPD, PPOX LMNA 1491/4885MAPT 2115/4885HTR1A 3338/4885

“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.