SCHEMBL15545453

SCHEMBL15545453

C[N+]1(CCO)CCN(c2ccc(N)cc2N)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 5/20 0.39
GAA P10253 4/20 0.39
MEN1 O00255 2/20 0.39
THRB P10828 2/20 0.39
KMT2A Q03164 2/20 0.39
NR4A1 P22736 1/20 0.39
PTK2B Q14289 1/20 0.39
GFER P55789 3/20 0.38
RAD52 P43351 2/20 0.38
KDM4E B2RXH2 6/20 0.37
POLB P06746 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSD17B10 Q99714 3/20 0.37
S100B P04271 1/20 0.36
HTT P42858 2/20 0.36
ALOX15 P16050 1/20 0.36
YWHAG P61981 1/20 0.36
SLC18A3 Q16572 1/20 0.36
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL15041160 0.89 MAPT (0.38) ALDH1A1MAPTGAAMEN1THRB
SCHEMBL15545201 0.85 ALDH1A1 (0.38) ALDH1A1MAPTGAAMEN1THRB
SCHEMBL15545930 0.80 ALDH1A1 (0.46) ALDH1A1MAPTGAAMEN1THRB
SCHEMBL5351218 0.79 MAPT (0.47) ALDH1A1MAPTGAAMEN1THRB
SCHEMBL14784996 0.79 GAA (0.37) ALDH1A1MAPTGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL5349721 0.78 MAPT (0.46) ALDH1A1MAPTGAAMEN1THRB
Hydrochloric Acid SCHEMBL15546336 0.77 ALDH1A1 (0.47) ALDH1A1MAPTGAAMEN1THRB
Hydrochloric Acid SCHEMBL5358867 0.77 MAPT (0.46) ALDH1A1MAPTGAAMEN1THRB
SCHEMBL1979262 0.75 OPRK1 (0.33) SLC18A3
SCHEMBL6742559 0.74 MAPT (0.47) ALDH1A1MAPTGAAMEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345653-B2 Dye composition comprising a cationic meta-phenylenediamine L'OREAL (FR) 2016-05-24 US claimed
US-20150143638-A1 DYE COMPOSITION COMPRISING A CATIONIC META-PHENYLENEDIAMINE L'OREAL (FR) 2015-05-28 US claimed
EP-2867212-A1 DYE COMPOSITION COMPRISING A CATIONIC META-PHENYLENEDIAMINE L'Oréal (FR) 2015-05-06 EP claimed
WO-2014005900-A1 DYE COMPOSITION COMPRISING A CATIONIC META-PHENYLENEDIAMINE L'OREAL (FR) 2014-01-09 WO claimed
US-9345653-B2 Dye composition comprising a cationic meta-phenylenediamine L'OREAL (FR) 2016-05-24 US disclosed
US-20150143638-A1 DYE COMPOSITION COMPRISING A CATIONIC META-PHENYLENEDIAMINE L'OREAL (FR) 2015-05-28 US disclosed
WO-2014005900-A1 DYE COMPOSITION COMPRISING A CATIONIC META-PHENYLENEDIAMINE L'OREAL (FR) 2014-01-09 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-20150143638-A1 DYE COMPOSITION COMPRISING A CATIONIC META-PHENYLENEDIAMINE TYR, MAOA, CUTA ALDH1A1 71/4885MAPT 3769/4885GAA 2533/4885

“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.