SCHEMBL6712196

SCHEMBL6712196

Nc1ccc(N2CC(N)C(N)C2)c(CCO)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
MAPT P10636 6/20 0.33
ALDH1A1 P00352 4/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
THRB P10828 2/20 0.33
KMT2A Q03164 2/20 0.33
GFER P55789 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 1/20 0.33
YWHAG P61981 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 4/20 0.32
NR4A1 P22736 1/20 0.32
PTK2B Q14289 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAD52 P43351 2/20 0.31
CHEK1 O14757 1/20 0.30

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
SCHEMBL6706981 0.91 GBA1 (0.33) ACHEMAPTALDH1A1HTTMEN1
SCHEMBL6707096 0.88 GBA1 (0.35) ACHEMAPTALDH1A1HTTMEN1
SCHEMBL5390334 0.82 ALDH1A1 (0.38) ACHEMAPTALDH1A1HTTMEN1
SCHEMBL7103843 0.82 NR4A1 (0.39) MAPTALDH1A1HTTKDM4EGAA
SCHEMBL7033209 0.81 ALDH1A1 (0.49) ACHEMAPTALDH1A1HTTMEN1
SCHEMBL5382531 0.80 ALDH1A1 (0.38) ACHEMAPTALDH1A1HTTMEN1
SCHEMBL6710429 0.78 HRH4 (0.40) ALDH1A1HTTGAAGBA1
SCHEMBL6706966 0.77
SCHEMBL188609 0.77 MAPT (0.56) MAPTALDH1A1HTTMEN1THRB
SCHEMBL7106661 0.76 LIPG (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040074013-A1 Oxidation dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in positions 3 and 4, and dyeing method using same L'OREAL S.A. (FR) 2004-04-22 US claimed
EP-1341510-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 3 AND 4, AND DYEING METHOD USING SAME L'OREAL (FR) 2003-09-10 EP claimed
WO-2002045671-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 3 AND 4, AND DYEING METHOD USING SAME L'OREAL (FR) 2002-06-13 WO claimed
US-20040074013-A1 Oxidation dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in positions 3 and 4, and dyeing method using same L'OREAL S.A. (FR) 2004-04-22 US disclosed
EP-1341510-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 3 AND 4, AND DYEING METHOD USING SAME L'OREAL (FR) 2003-09-10 EP disclosed
WO-2002045671-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 3 AND 4, AND DYEING METHOD USING SAME L'OREAL (FR) 2002-06-13 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-20040074013-A1 Oxidation dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in positions 3 and 4, and dyeing method using same KRT18, PYCR1, COX5A ACHE 3301/4885MAPT 837/4885ALDH1A1 203/4885

“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.