SCHEMBL4825528

SCHEMBL4825528

Nc1ccc(N)c2c1COC2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
THRB P10828 1/20 0.30
LGMN Q99538 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL31518244 0.85 IL1RN (0.32) MEN1KMT2A
SCHEMBL22271639 0.85 EP300 (0.37) PARP1MEN1KMT2ATDP1THRB
SCHEMBL22271503 0.85 TDP1 (0.34) PARP1TDP1THRBCYP3A4ALOX15
Hydrochloric Acid SCHEMBL30915588 0.83 MEN1 (0.32) MEN1KMT2A
Hydrochloric Acid SCHEMBL25297949 0.83 MEN1 (0.32) MEN1KMT2A
SCHEMBL4825728 0.82 LIMK1 (0.35)
SCHEMBL2479269 0.75 CD44 (0.42) PARP1MEN1KMT2ATDP1CYP3A4
SCHEMBL30559712 0.75 CD44 (0.42) PARP1MEN1KMT2ATDP1CYP3A4
SCHEMBL21955154 0.73 IL1RN (0.36)
SCHEMBL17873234 0.73 KDM4E (0.47) PARP1ALOX15CASP1CASP7

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 PARP1 560/4885MEN1 4089/4885KMT2A 1701/4885

“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.