SCHEMBL5161540

SCHEMBL5161540

COc1cc(N)cc(CCCN(C)C)c1N

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.46
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
KDM4E B2RXH2 1/20 0.36
AOC3 Q16853 3/20 0.36

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
SCHEMBL5158843 0.84 NOS1 (0.43) NOS1SLC6A4NOS3NOS2
SCHEMBL6498411 0.81 NOS1 (0.52) NOS1HTR2ASLC6A4GAAMAPT
SCHEMBL5160883 0.78 NOS1 (0.42) NOS1SLC6A4NOS3NOS2
SCHEMBL31507553 0.72 HTR2A (0.57) NOS1HTR2ASLC6A4TSHR
SCHEMBL7755387 0.72 KDM4E (0.47) NOS1HTR2ASLC6A4GAAMAPT
SCHEMBL4036416 0.71 FYN (0.53) HTR2AGAAMAPTHTR1BKDM4E
SCHEMBL4360488 0.70 AOC3 (0.55) NOS1HTR2AGAAMAPTTSHR
SCHEMBL5162970 0.70 MAPT (0.50) GAAMAPTTSHRMAPK1HTT
SCHEMBL14875929 0.69 NOS1 (0.40) NOS1SLC6A4NOS3NOS2
SCHEMBL5159233 0.69 HRH3 (0.55) HTR2A

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
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 US claimed
EP-1757579-A1 Primary 2,6-disubstituted para-phenylenediamines and their uses for dyeing keratin fibres L'Oréal (FR) 2007-02-28 EP claimed
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 US disclosed
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 US disclosed
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 US disclosed
EP-1757579-A1 Primary 2,6-disubstituted para-phenylenediamines and their uses for dyeing keratin fibres L'Oréal (FR) 2007-02-28 EP disclosed
EP-1757579-A1 Primary 2,6-disubstituted para-phenylenediamines and their uses for dyeing keratin fibres L'Oréal (FR) 2007-02-28 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-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers KRT18, DSP, CDC73 NOS1 1779/4885HTR2A 3762/4885SLC6A4 3066/4885

“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.