SCHEMBL5159628

SCHEMBL5159628

CN(C)C(=O)Cc1ccc(N)cc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.36
PRKCI P41743 1/20 0.36
MAPT P10636 4/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 3/20 0.34
MAPK1 P28482 3/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL19182297 0.83 EPHX2 (0.45) CASP1MAPTMEN1THRBRECQL
SCHEMBL19181120 0.83 ADRA2B (0.39) PRKCIACHEPOLQ
SCHEMBL5161931 0.83 HSD17B10 (0.43) CASP1PRKCIMEN1KMT2ATDP1
SCHEMBL19175078 0.83 POLQ (0.44) MEN1KMT2ATDP1GAAMAPK1
Ammonia Solution, Strong SCHEMBL5306552 0.81 HSD17B10 (0.42) CASP1PRKCIMEN1KMT2ATDP1
SCHEMBL19181005 0.80 GAA (0.57) MAPTMEN1POLBKMT2AGAA
SCHEMBL5164427 0.80 POLB (0.46) MAPTPOLBAPEX1TDP1MAPK1
SCHEMBL30772170 0.80 GAA (0.57) MAPTMEN1POLBKMT2AGAA
SCHEMBL10819200 0.79 PRKCI (0.38) PRKCIMAPTMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL30148629 0.79 GAA (0.56) MAPTMEN1POLBKMT2AGAA

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 CASP1 1171/4885PRKCI 1006/4885MAPT 1737/4885

“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.