SCHEMBL4822759

SCHEMBL4822759

CCCC1Cc2c(N)ccc(N)c2C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.44
NOS1 P29475 11/20 0.44
NOS3 P29474 10/20 0.44
FYN P06241 1/20 0.44
CYP2C9 P11712 1/20 0.38
HCAR2 Q8TDS4 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP1 P09874 1/20 0.31

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
SCHEMBL4823313 0.75 BPTF (0.32) PARP1
SCHEMBL4825996 0.69 PARP1 (0.39) NOS2NOS1NOS3ALDH1A1MEN1
SCHEMBL3916886 0.68 FYN (0.57) NOS2NOS1NOS3FYN
SCHEMBL26967539 0.67 FYN (0.75) NOS2NOS1NOS3FYNCYP2C9
SCHEMBL4819933 0.66 ADRA1A (0.46) FYNPARP1
SCHEMBL910906 0.66
SCHEMBL20636473 0.65 FYN (0.44) NOS2NOS1NOS3FYNMAPT
SCHEMBL10778385 0.64 CYP2C9 (0.64) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL7753793 0.64 CYP2C9 (0.64) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL4826835 0.64 PARP1 (0.35) PARP1

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 NOS2 224/4885NOS1 162/4885NOS3 187/4885

“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.