SCHEMBL5836188

SCHEMBL5836188

Nc1ccc(N2CCC(OCCN3CCCC3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 8/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 2/20 0.41
RECQL P46063 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL5836967 0.99 LTA4H (0.45) LTA4HPTGS1PTGS2L3MBTL1KDM4E
SCHEMBL3644145 0.92 HRH3 (0.47) LTA4HPTGS1PTGS2L3MBTL1KDM4E
SCHEMBL3645553 0.91 HRH3 (0.49) LTA4HPTGS1PTGS2L3MBTL1KDM4E
SCHEMBL5836123 0.90 KDM4E (0.44) LTA4HPTGS1PTGS2L3MBTL1KDM4E
SCHEMBL5836635 0.90 KDM4E (0.49) LTA4HPTGS1PTGS2KDM4EMAPT
SCHEMBL5837740 0.83 GAA (0.46) LTA4HL3MBTL1KDM4EMAPTALDH1A1
SCHEMBL5836652 0.82 GAA (0.45) L3MBTL1KDM4EMAPTALDH1A1GAA
SCHEMBL6838886 0.79 MAPT (0.40) L3MBTL1KDM4EMAPTALDH1A1GAA
SCHEMBL2126264 0.78 KDM4E (0.38) L3MBTL1KDM4EMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL2541466 0.77 KDM4E (0.37) L3MBTL1KDM4EMAPTALDH1A1GAA

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 LTA4H 4150/4885PTGS1 2658/4885PTGS2 3057/4885

“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.