SCHEMBL5836445

SCHEMBL5836445

Nc1ccc(N2CCC(N3CCCCC3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 14/20 0.62
L3MBTL1 Q9Y468 11/20 0.62
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 2/20 0.55
HTT P42858 2/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
USP2 O75604 1/20 0.55
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
ALOX15 P16050 1/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MBTD1 Q05BQ5 3/20 0.53

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
SCHEMBL5202381 0.98 L3MBTL3 (0.65) L3MBTL3L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL3575178 0.90 L3MBTL3 (0.79) L3MBTL3L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL77669 0.90 L3MBTL3 (0.79) L3MBTL3L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL12006223 0.89 L3MBTL1 (0.51) L3MBTL3L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL2236451 0.88 L3MBTL3 (0.81) L3MBTL3L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL12006588 0.87 HRH3 (0.52) L3MBTL3L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL12005958 0.87 HRH3 (0.52) L3MBTL3L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL12005460 0.87 HRH3 (0.52) L3MBTL3L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL5836939 0.85 KDM4E (0.53) L3MBTL3L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL5836183 0.84 MAPT (0.59) L3MBTL3L3MBTL1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132534-B2 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL (FR) 2006-11-07 US claimed
US-20040077852-A1 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL S.A. (FR) 2004-04-22 US claimed
EP-1378230-A1 Para-phenylenediamine derivatives comprising a pyrrolidinyl group substituted by a cyclic radical and their use in colouring keratinic fibres L'OREAL (FR) 2004-01-07 EP claimed
US-7132534-B2 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL (FR) 2006-11-07 US disclosed
US-20040077852-A1 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL S.A. (FR) 2004-04-22 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-20040077852-A1 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers KRT18, CDC73, VIM L3MBTL3 4758/4885L3MBTL1 4645/4885ALDH1A1 1327/4885

“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.