SCHEMBL5200445

SCHEMBL5200445

Cc1cc(N2CCC(n3ccnc3)C2)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.42
GAA P10253 1/20 0.42
LRRK2 Q5S007 2/20 0.39
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
KCNH2 Q12809 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 7/20 0.33
OGG1 O15527 1/20 0.33
KHK P50053 1/20 0.33
LGMN Q99538 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
SCHEMBL14924423 0.82 LRRK2 (0.41) LRRK2MAPTKCNH2CYP3A4CYP2D6
SCHEMBL5200511 0.82 MAPT (0.45) RAD52GAALRRK2KDM4EMAPT
SCHEMBL14924422 0.82 LRRK2 (0.41) LRRK2MAPTKCNH2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6328982 0.80 RAD52 (0.40) RAD52GAAKDM4EMAPTKCNH2
Hydrochloric Acid SCHEMBL2540311 0.79 RAD52 (0.40) RAD52GAAKDM4EMAPTKCNH2
SCHEMBL5837426 0.78 RAD52 (0.42) RAD52GAALRRK2KDM4EMAPT
SCHEMBL5836576 0.78 RAD52 (0.42) RAD52GAALRRK2KDM4EMAPT
SCHEMBL2127393 0.77 RAD52 (0.41) RAD52GAAKDM4EMAPTKCNH2
SCHEMBL5836897 0.77 L3MBTL1 (0.50) RAD52GAAMAPTHRH3KHK
SCHEMBL14923987 0.76 HRH3 (0.42) GAALRRK2KDM4EMAPTKCNH2

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
EP-1378230-B1 Para-phenylenediamine derivatives comprising a pyrrolidinyl group substituted by a cyclic radical and their use in colouring keratinic fibres OREAL (FR) 2007-11-14 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 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
EP-1378230-B1 Para-phenylenediamine derivatives comprising a pyrrolidinyl group substituted by a cyclic radical and their use in colouring keratinic fibres OREAL (FR) 2007-11-14 EP 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 RAD52 1089/4885GAA 4385/4885LRRK2 4399/4885

“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.