SCHEMBL5159233

SCHEMBL5159233

COc1cc(N)cc(CCN2CCCC2)c1N

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.55
HTR2A P28223 3/20 0.54
SIGMAR1 Q99720 3/20 0.46
KCNH2 Q12809 2/20 0.45
HTR1A P08908 1/20 0.43
EHMT2 Q96KQ7 3/20 0.40
POLB P06746 1/20 0.40
EHMT1 Q9H9B1 2/20 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
Hydrochloric Acid SCHEMBL5422628 0.98 HRH3 (0.54) HRH3HTR2ASIGMAR1KCNH2HTR1A
SCHEMBL5162948 0.79 HRH3 (0.72) HRH3HTR2ASIGMAR1KCNH2POLB
SCHEMBL6992013 0.74 POLB (0.68) HTR2AEHMT2POLBEHMT1
SCHEMBL2076533 0.74 MAPT (0.53) HRH3HTR2ASIGMAR1KCNH2EHMT2
SCHEMBL5430861 0.73 HRH3 (0.43) HRH3HTR2ASIGMAR1KCNH2HTR1A
SCHEMBL5430853 0.73 HRH3 (0.43) HRH3HTR2ASIGMAR1KCNH2HTR1A
SCHEMBL311021 0.72 HTR2A (0.57) HRH3HTR2ASIGMAR1KCNH2HTR1A
SCHEMBL14755492 0.72 HRH3 (0.58) HRH3HTR2ASIGMAR1KCNH2HTR1A
SCHEMBL22254610 0.71 HRH3 (0.49) HRH3HTR2ASIGMAR1KCNH2HTR1A
SCHEMBL2228812 0.70 SIGMAR1 (0.59) HRH3SIGMAR1

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 HRH3 1245/4885HTR2A 3762/4885SIGMAR1 3538/4885

“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.