SCHEMBL15545201

SCHEMBL15545201

Nc1ccc(N2CC[N+](CCO)(CCO)CC2)c(N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
POLB P06746 3/20 0.38
S100B P04271 1/20 0.38
KDM4E B2RXH2 6/20 0.38
MAPT P10636 5/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 2/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 0.38
GFER P55789 2/20 0.38
ALOX15 P16050 1/20 0.38
YWHAG P61981 1/20 0.38
GAA P10253 6/20 0.37
NR4A1 P22736 1/20 0.37
PTK2B Q14289 1/20 0.37
HTT P42858 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL15041246 0.88 MAPT (0.38) ALDH1A1POLBS100BKDM4EMAPT
SCHEMBL15545453 0.85 ALDH1A1 (0.39) ALDH1A1POLBS100BKDM4EMAPT
SCHEMBL14784625 0.78 GAA (0.37) ALDH1A1S100BKDM4EMAPTMEN1
SCHEMBL6744015 0.78 MAPT (0.47) ALDH1A1POLBKDM4EMAPTHSD17B10
Hydrochloric Acid SCHEMBL5364443 0.76 MAPT (0.46) ALDH1A1POLBKDM4EMAPTHSD17B10
SCHEMBL7514624 0.76 ALDH1A1 (0.53) ALDH1A1POLBS100BKDM4EMAPT
SCHEMBL15545930 0.76 ALDH1A1 (0.46) ALDH1A1POLBS100BKDM4EMAPT
SCHEMBL9974693 0.74 OPRK1 (0.32)
SCHEMBL15041160 0.74 MAPT (0.38) ALDH1A1POLBS100BKDM4EMAPT
Hydrochloric Acid SCHEMBL15546336 0.73 ALDH1A1 (0.47) ALDH1A1POLBS100BKDM4EMAPT

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 71/4885POLB 530/4885S100B 1682/4885

“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.