SCHEMBL5206645

SCHEMBL5206645

O=[N+]([O-])c1ccc(N2CCCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.68
CCR2 P41597 1/20 0.61
MAPT P10636 4/20 0.59
ALDH1A1 P00352 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
NPBWR1 P48145 1/20 0.59
MCHR1 Q99705 1/20 0.59
DRD4 P21917 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL1126947 0.95 POLB (0.75) POLBMAPTALDH1A1L3MBTL1NPBWR1
SCHEMBL3151686 0.89 POLB (0.71) POLBCCR2MAPTALDH1A1L3MBTL1
SCHEMBL8125916 0.86 MEN1 (0.68) POLBMAPTALDH1A1L3MBTL1MCHR1
SCHEMBL5626457 0.84 ALDH1A1 (0.74) CCR2MAPTALDH1A1L3MBTL1NPBWR1
SCHEMBL7985192 0.83 ALDH1A1 (0.62) POLBCCR2MAPTALDH1A1L3MBTL1
SCHEMBL25368316 0.82 POLB (0.73) POLBMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL15347670 0.82 POLB (0.73) POLBMAPTALDH1A1NPBWR1MCHR1
SCHEMBL4506302 0.82 POLB (0.65) POLBMAPTALDH1A1NPBWR1MCHR1
SCHEMBL3156886 0.81 KDM4E (0.73) POLBCCR2MAPTALDH1A1SMN1; SMN2
SCHEMBL7048817 0.81 MAPT (0.85) POLBMAPTALDH1A1SMN1; SMN2LMNA

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 POLB 504/4885CCR2 2466/4885MAPT 2115/4885

“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.