SCHEMBL6710488

SCHEMBL6710488

Cc1cc(N2CC(N)C(O)C2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
RAD52 P43351 2/20 0.48
CDK1 P06493 10/20 0.41
CDK2 P24941 10/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.34
RECQL P46063 1/20 0.34
PTK2B Q14289 1/20 0.34
LGMN Q99538 1/20 0.33
IP6K1 Q92551 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6706979 0.90 RAD52 (0.53) GAARAD52CDK1CDK2THRB
SCHEMBL6709032 0.89 GAA (0.54) GAARAD52CDK1CDK2THRB
SCHEMBL6221179 0.87 GAA (0.50) GAARAD52CDK1CDK2THRB
SCHEMBL6220147 0.81 RAD52 (0.50) GAARAD52CDK1CDK2THRB
SCHEMBL6712312 0.81 CDK1 (0.39) GAARAD52CDK1CDK2MAPT
SCHEMBL6710515 0.81 RAD52 (0.44) GAARAD52CDK1CDK2THRB
SCHEMBL6710390 0.81 ALDH1A1 (0.41) CDK1CDK2ALDH1A1TDP1CYP3A4
SCHEMBL6220205 0.78 GAA (0.58) GAARAD52CDK1CDK2THRB
SCHEMBL6712273 0.77 CDK1 (0.34) CDK1CDK2IP6K1
SCHEMBL6712304 0.77 CDK1 (0.34) CDK1CDK2IP6K1

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 GAA 4468/4885RAD52 530/4885CDK1 1985/4885

“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.