SCHEMBL4824465

SCHEMBL4824465

CCOC(=O)CCNc1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.49
LMNA P02545 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
POLB P06746 2/20 0.48
PPIB P23284 1/20 0.48
PPIA P62937 1/20 0.48
PPID Q08752 1/20 0.48
PPIG Q13427 1/20 0.48
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
XDH P47989 1/20 0.42

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
Hydrochloric Acid SCHEMBL4829831 0.98 TOP2A (0.48) TOP2ALMNACYP1A2CYP3A4MAOA
SCHEMBL8738077 0.92 PPIB (0.45) TOP2ALMNACYP1A2CYP3A4MAOA
SCHEMBL4823915 0.91 TOP2A (0.51) TOP2ALMNACYP1A2CYP3A4MAOA
SCHEMBL9829525 0.87 MAPT (0.53) TOP2ALMNAPOLBALDH1A1HTT
SCHEMBL9830217 0.85 MAPT (0.55) TOP2ALMNACYP1A2POLBALDH1A1
SCHEMBL11020358 0.85 TOP2A (0.50) TOP2ALMNAPOLBALDH1A1KDM4E
SCHEMBL4824629 0.85 SMN1; SMN2 (0.54) LMNAPOLBALDH1A1KDM4EHTT
SCHEMBL3171431 0.84 POLB (0.51) TOP2ALMNAPOLBPPIDALDH1A1
SCHEMBL658049 0.84 MAPT (0.59) TOP2ALMNAPOLBALDH1A1KDM4E
SCHEMBL13196370 0.84 TOP2A (0.49) TOP2ALMNAPOLBALDH1A1MAPT

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-7384432-B2 Secondary para-phenylenediamines having a carboxyl group, dye compositions comprising the same, and dyeing processes using the compositions L'OREAL S.A. (FR) 2008-06-10 US claimed
US-20060021159-A1 Secondary para-phenylenediamines having a carboxyl group, dye compositions comprising the same, and dyeing processes using the compositions L'OREAL S.A. (FR) 2006-02-02 US claimed
US-7384432-B2 Secondary para-phenylenediamines having a carboxyl group, dye compositions comprising the same, and dyeing processes using the compositions L'OREAL S.A. (FR) 2008-06-10 US disclosed
US-7384432-B2 Secondary para-phenylenediamines having a carboxyl group, dye compositions comprising the same, and dyeing processes using the compositions L'OREAL S.A. (FR) 2008-06-10 US disclosed
US-7384432-B2 Secondary para-phenylenediamines having a carboxyl group, dye compositions comprising the same, and dyeing processes using the compositions L'OREAL S.A. (FR) 2008-06-10 US disclosed
US-20060021159-A1 Secondary para-phenylenediamines having a carboxyl group, dye compositions comprising the same, and dyeing processes using the compositions L'OREAL S.A. (FR) 2006-02-02 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-20060021159-A1 Secondary para-phenylenediamines having a carboxyl group, dye compositions comprising the same, and dyeing processes using the compositions KRT18, CDC73, JUP TOP2A 1177/4885LMNA 746/4885CYP1A2 1398/4885

“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.