SCHEMBL5164397

SCHEMBL5164397

N#CCNC(=O)Cc1ccc(N)cc1N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.38
CTSS P25774 5/20 0.38
CTSB P07858 1/20 0.38
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
CTSK P43235 5/20 0.36
LIPG Q9Y5X9 4/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
F2 P00734 1/20 0.34
MCL1 Q07820 1/20 0.33
P2RX7 Q99572 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
CTSC P53634 1/20 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
SCHEMBL5162095 0.83 EPHX2 (0.39) EPHX2NR1H4KDM4EALDH1A1HPGD
SCHEMBL5162590 0.80 L3MBTL1 (0.42) EPHX2NR1H4KDM4EALDH1A1HPGD
SCHEMBL5164405 0.79 GAA (0.38) EPHX2NR1H4KDM4EALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL5307556 0.79 L3MBTL1 (0.41) EPHX2NR1H4KDM4EALDH1A1HPGD
SCHEMBL5165340 0.78 CA12 (0.37) EPHX2NR1H4KDM4EHPGDF2
SCHEMBL5164364 0.78 GAA (0.36) EPHX2NR1H4KDM4EALDH1A1HPGD
SCHEMBL5162506 0.78 CTSS (0.37) CTSLCTSSCTSBCTSKLIPG
SCHEMBL5162073 0.78 EPHX2 (0.39) EPHX2NR1H4KDM4EALDH1A1HPGD
SCHEMBL5163460 0.78 HPGD (0.50) KDM4EALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL5332401 0.77 GAA (0.35) EPHX2NR1H4KDM4EALDH1A1HPGD

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 CTSL 4591/4885CTSS 4695/4885CTSB 4157/4885

“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.