SCHEMBL6494087

SCHEMBL6494087

Nc1ccc(N2CCCC2C2CCCN2c2ccc(N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 3/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
THRB P10828 2/20 0.47
RECQL P46063 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GFER P55789 4/20 0.41
TDP1 Q9NUW8 2/20 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
SCHEMBL6505403 0.83 GAA (0.43) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL28868727 0.82 MAPT (0.42) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL6607096 0.82 ALDH1A1 (0.47) MAPTALDH1A1KDM4EGAAHTT
Methane SCHEMBL8434666 0.80 MAPT (0.41) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL7985607 0.80 ALDH1A1 (0.46) MAPTALDH1A1KDM4EGAAHTT
Hydrochloric Acid SCHEMBL6763531 0.80 ALDH1A1 (0.46) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL2884618 0.79 MAPT (0.43) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL6495004 0.78 ALDH1A1 (0.33) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL4890984 0.77 FFAR1 (0.43) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL6620757 0.77 NR1I2 (0.43) MAPTALDH1A1KDM4EGAAHTT

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
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 claimed
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 claimed
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 claimed
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
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

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-20040123401-A1 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres KRT18, VIM, CDC73 MAPT 808/4885ALDH1A1 1741/4885KDM4E 532/4885

“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.