SCHEMBL5203367

SCHEMBL5203367

O=[N+]([O-])c1ccc(N2CCC(n3ccnc3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
SIRT6 Q8N6T7 2/20 0.43
ADRB1 P08588 1/20 0.43
CYP19A1 P11511 3/20 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
SCHEMBL14924423 0.80 LRRK2 (0.41) MAPTHRH3ADRB1CYP19A1
SCHEMBL5200511 0.80 MAPT (0.45) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL14924422 0.80 LRRK2 (0.41) MAPTHRH3ADRB1CYP19A1
Hydrochloric Acid SCHEMBL6323525 0.77 MEN1 (0.44) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL14923976 0.77 HRH3 (0.42) MAPTKMT2AHRH3ALDH1A1MAPK1
SCHEMBL14923987 0.77 HRH3 (0.42) MAPTKMT2AHRH3ALDH1A1MAPK1
SCHEMBL2127519 0.76 MAPT (0.59) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL5832442 0.76 MEN1 (0.57) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL2128163 0.76 MEN1 (0.45) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL5200445 0.74 RAD52 (0.42) MAPTHRH3

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 7 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 disclosed
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-6923835-B2 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2005-08-02 US disclosed
US-20040123401-A1 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2004-07-01 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
EP-1396486-A1 Bis-paraphenylendiamine derivatives comprising pyrrolidine groups and their use for the colouration of keratinic fibres L'OREAL (FR) 2004-03-10 EP disclosed
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 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 (2 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 MAPT 1211/4885KMT2A 1469/4885MEN1 4520/4885
US-20040123401-A1 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres KRT18, VIM, CDC73 MAPT 808/4885KMT2A 1629/4885MEN1 4459/4885

“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.