SCHEMBL5202350

SCHEMBL5202350

Nc1ccc(N2CCN(CCO)CC(N)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
GFER P55789 5/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
RAD52 P43351 2/20 0.47
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 2/20 0.44
ADRA2C P18825 1/20 0.44
PTK2B Q14289 1/20 0.44
ESR2 Q92731 1/20 0.44
MAPK1 P28482 2/20 0.40
LMNA P02545 5/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTR7 P34969 2/20 0.39
ESRRG P62508 2/20 0.39
CASP6 P55212 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
THRB P10828 2/20 0.38

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
SCHEMBL5202043 0.85 MAPT (0.47) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL5202190 0.84 MAPT (0.46) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL5202429 0.83 KDM4E (0.45) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL6151437 0.82 MAPT (0.62) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL188852 0.82 MAPT (0.62) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL6150880 0.82 MAPT (0.62) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL5203995 0.81 GAA (0.56) MAPTKDM4EGAARAD52ALDH1A1
SCHEMBL5202340 0.77 MAPT (0.56) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL5202948 0.76 MAPT (0.65) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL6152013 0.73 MAPT (0.59) MAPTGFERKDM4EGAASMN1; SMN2

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 claimed
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 claimed
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 claimed
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

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 MAPT 2115/4885GFER 1097/4885KDM4E 1418/4885

“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.