SCHEMBL4825313

SCHEMBL4825313

CN1Cc2c(N)ccc(N)c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 4/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 3/20 0.42
CYP3A4 P08684 2/20 0.42
RGS12 O14924 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
PTGS2 P35354 1/20 0.42
HRH1 P35367 1/20 0.42
OPRM1 P35372 1/20 0.42
GNAI1 P63096 1/20 0.42
KCNH2 Q12809 1/20 0.42
ADRA2C P18825 3/20 0.40
GAA P10253 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
SCHEMBL6609106 0.80 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3MAPK1LMNA
SCHEMBL8232020 0.77 CYP2C19 (0.39) SLC6A2SLC6A4SLC6A3MAPK1LMNA
SCHEMBL6784369 0.77 ADRA2C (0.37) SLC6A2SLC6A4SLC6A3MAPK1LMNA
SCHEMBL6785952 0.77 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3MAPK1LMNA
SCHEMBL3023510 0.76 ADRA2A (0.44) SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6
SCHEMBL19082532 0.75 HRH4 (0.36) SLC6A2SLC6A4SLC6A3MAPK1LMNA
SCHEMBL14894958 0.74 ADRA2C (0.35) SLC6A2SLC6A4SLC6A3MAPK1LMNA
SCHEMBL6608005 0.74 KDM4E (0.40) SLC6A2SLC6A4SLC6A3MAPK1LMNA
SCHEMBL17815212 0.73 CYP2C19 (0.39) SLC6A2SLC6A4SLC6A3MAPK1LMNA
SCHEMBL19705567 0.71 CYP2C19 (0.38) SLC6A2SLC6A4SLC6A3MAPK1LMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396369-B2 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2008-07-08 US claimed
US-20070011823-A1 Novel 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-01-18 US claimed
EP-1739073-A1 New primary 2,3-disubstituted para-phenylendiamins and their use as oxidative colouring of keratinic fibers L'Oréal (FR) 2007-01-03 EP claimed
US-7396369-B2 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2008-07-08 US disclosed
US-7396369-B2 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2008-07-08 US disclosed
US-7396369-B2 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2008-07-08 US disclosed
US-20070011823-A1 Novel 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011823-A1 Novel 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011823-A1 Novel 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
EP-1739073-A1 New primary 2,3-disubstituted para-phenylendiamins and their use as oxidative colouring of keratinic fibers L'Oréal (FR) 2007-01-03 EP disclosed
EP-1739073-A1 New primary 2,3-disubstituted para-phenylendiamins and their use as oxidative colouring of keratinic fibers L'Oréal (FR) 2007-01-03 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-20070011823-A1 Novel 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers KRT18, VIM, CDC73 SLC6A2 3741/4885SLC6A4 4384/4885SLC6A3 3840/4885

“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.