SCHEMBL5202386

SCHEMBL5202386

O=[N+]([O-])c1ccc(N2CCC(NCCCn3ccnc3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
QPCT Q16769 1/20 0.52
CYP19A1 P11511 4/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 4/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 2/20 0.42
MDM2 Q00987 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL5201002 0.85 QPCT (0.41) QPCTCYP19A1MAPTALDH1A1SMN1; SMN2
SCHEMBL19925821 0.76 CYP19A1 (0.55) MAOAMAOBQPCTCYP19A1KMT2A
SCHEMBL1749672 0.75 MAPT (0.50) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL1749671 0.75 MAPT (0.50) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4333368 0.74 MAPT (0.52) KMT2AMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL5189230 0.74 QPCT (0.69) MAOAMAOBQPCTCYP19A1KMT2A
SCHEMBL12531791 0.72 GAA (0.47) KMT2AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL5203367 0.72 MAPT (0.44) CYP19A1KMT2AMAPTPOLBALDH1A1
SCHEMBL5837274 0.71 MAOA (0.58) MAOAMAOBQPCTCYP19A1KMT2A
SCHEMBL1749907 0.70 MAPT (0.56) KMT2AMAPTPOLBALDH1A1SMN1; SMN2

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 4 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-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-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 (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 MAOA 2618/4885MAOB 3033/4885QPCT 2062/4885

“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.