SCHEMBL5164427

SCHEMBL5164427

CCCN(CCC)C(=O)Cc1ccc(N)cc1N

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 1/20 0.40
TSPO P30536 2/20 0.38
TP53 P04637 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5161610 0.91 CYP1A2 (0.46) POLBAPEX1TDP1MAPT
SCHEMBL5161931 0.87 HSD17B10 (0.43) TDP1TSPO
SCHEMBL5164492 0.86 POLB (0.36) POLBAPEX1TDP1MAPTTSHR
Ammonia Solution, Strong SCHEMBL5306552 0.86 HSD17B10 (0.42) TDP1TSPOHRH3
SCHEMBL5162901 0.83 HDAC1 (0.35) POLBAPEX1TDP1MAPTTSHR
SCHEMBL5159628 0.80 CASP1 (0.36) POLBAPEX1TDP1MAPTTSHR
SCHEMBL5164349 0.77 POLB (0.45) POLBAPEX1TDP1MAPTTSPO
SCHEMBL2131319 0.74 LMNA (0.46) TDP1MAPTMAPK1
SCHEMBL29414153 0.73 CASP1 (0.50) POLBAPEX1TDP1MAPTTP53
SCHEMBL5491963 0.73 CASP1 (0.50) POLBAPEX1TDP1MAPTTP53

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 POLB 1150/4885APEX1 632/4885TDP1 715/4885

“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.