SCHEMBL5159733

SCHEMBL5159733

Nc1ccc(CC(=O)Nc2ccccc2[N+](=O)[O-])c(N)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.51
HDAC1 Q13547 2/20 0.51
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL5164822 0.81 MEN1 (0.58) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL5159609 0.80 MAPT (0.53) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL5162173 0.79 KMT2A (0.51) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL5163509 0.79 KMT2A (0.52) MEN1KMT2ARAB9AALDH1A1L3MBTL1
SCHEMBL5163562 0.79 HPGD (0.56) RAB9ANPC1HDAC1ALDH1A1SMN1; SMN2
SCHEMBL5164404 0.79 RAB9A (0.49) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL5163734 0.78 RAB9A (0.62) MEN1KMT2ARAB9ANPC1HDAC1
SCHEMBL5162038 0.77 MEN1 (0.53) MEN1KMT2ARAB9AGAAHDAC1
SCHEMBL1577288 0.77 MEN1 (0.77) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL5161573 0.76 POLB (0.51) MEN1KMT2ARAB9AGAAHDAC1

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 MEN1 4559/4885KMT2A 2655/4885RAB9A 4739/4885

“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.