SCHEMBL5162095

SCHEMBL5162095

CCNC(=O)Cc1ccc(N)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
NOS2 P35228 1/20 0.37
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ANO1 Q5XXA6 1/20 0.34
CASP1 P29466 2/20 0.34
MAPT P10636 4/20 0.34
GAA P10253 3/20 0.34
THRB P10828 2/20 0.34
HTT P42858 2/20 0.34
PRKCI P41743 1/20 0.34
HPGD P15428 1/20 0.34
GFER P55789 1/20 0.34
PLEC Q15149 1/20 0.34
MAPK1 P28482 2/20 0.34
MPO P05164 1/20 0.34
MEN1 O00255 2/20 0.33

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
SCHEMBL5162590 0.87 L3MBTL1 (0.42) EPHX2NR1H4KDM4EALDH1A1GAA
Ammonia Solution, Strong SCHEMBL5307556 0.86 L3MBTL1 (0.41) EPHX2NR1H4KDM4EALDH1A1GAA
SCHEMBL5163460 0.84 HPGD (0.50) KDM4EALDH1A1MAPTHTTHPGD
SCHEMBL5164405 0.83 GAA (0.38) EPHX2NR1H4KDM4EALDH1A1ANO1
SCHEMBL5164397 0.83 CTSL (0.38) EPHX2NR1H4KDM4EALDH1A1ANO1
SCHEMBL5164364 0.82 GAA (0.36) EPHX2NR1H4KDM4EALDH1A1RAB9A
SCHEMBL5165340 0.82 CA12 (0.37) EPHX2NR1H4KDM4EMAPTGAA
SCHEMBL5162073 0.81 EPHX2 (0.39) EPHX2NR1H4KDM4EALDH1A1ANO1
Ammonia Solution, Strong SCHEMBL5332401 0.81 GAA (0.35) EPHX2NR1H4KDM4EALDH1A1RAB9A
SCHEMBL5160950 0.80 KDM4E (0.50) KDM4EMAPTGAAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US claimed
WO-2007026312-A1 1,3-DIAMINOBENZENE DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO claimed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 EP claimed
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US disclosed
WO-2007026312-A1 1,3-DIAMINOBENZENE DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO disclosed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 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-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds KRT18, DSP, DSG1 EPHX2 2475/4885NR1H4 2501/4885NOS2 1433/4885

“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.