SCHEMBL5162073

SCHEMBL5162073

CC(N)CNC(=O)Cc1ccc(N)cc1N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
HPGD P15428 2/20 0.38
HCRTR2 O43614 1/20 0.35
ALOX5 P09917 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
P2RX7 Q99572 6/20 0.34
ALDH1A1 P00352 1/20 0.33
ANO1 Q5XXA6 1/20 0.32

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
SCHEMBL5162095 0.81 EPHX2 (0.39) EPHX2NR1H4HPGDGAAMAPT
SCHEMBL5162938 0.81 HPGD (0.34) EPHX2NR1H4HPGDHCRTR2GAA
SCHEMBL5163543 0.80 ALOX5 (0.46) EPHX2NR1H4HPGDALOX5GAA
SCHEMBL5162590 0.79 L3MBTL1 (0.42) EPHX2NR1H4HPGDGAAKDM4E
SCHEMBL5163215 0.78 HSP90AA1 (0.37) HPGD
SCHEMBL5164405 0.78 GAA (0.38) EPHX2NR1H4HPGDALOX5GAA
Ammonia Solution, Strong SCHEMBL5307556 0.78 L3MBTL1 (0.41) EPHX2NR1H4HPGDGAAKDM4E
SCHEMBL5164397 0.78 CTSL (0.38) EPHX2NR1H4HPGDKDM4EP2RX7
SCHEMBL5165340 0.77 CA12 (0.37) EPHX2NR1H4HPGDGAAMAPT
SCHEMBL5164364 0.77 GAA (0.36) EPHX2NR1H4HPGDGAAKDM4E

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 2501/4885HPGD 44/4885

“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.