SCHEMBL5164480

SCHEMBL5164480

Nc1ccc(CC(=O)Nc2ccc(O)cc2)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.45
HDAC4 P56524 1/20 0.45
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
CASP6 P55212 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PEPD P12955 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
ANO1 Q5XXA6 1/20 0.40
KLKB1 P03952 1/20 0.40

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
SCHEMBL5161551 0.87 GAA (0.55) MAPTGAAKDM4ETHRBALDH1A1
SCHEMBL5161594 0.87 KMT2A (0.55) MAPTGAARAB9AALDH1A1MEN1
SCHEMBL5163733 0.87 KMT2A (0.53) MAPTKDM4ETDP1RAB9AALDH1A1
SCHEMBL5164381 0.87 POLB (0.53) HDAC4MAPTGAATHRBRAB9A
SCHEMBL5162952 0.86 CYP1A2 (0.54) HDAC4MAPTMEN1KMT2A
SCHEMBL5162110 0.85 GAA (0.43) MAPTGAARAB9AANO1KLKB1
Ammonia Solution, Strong SCHEMBL5309981 0.85 CYP1A2 (0.53) HDAC4MAPTMEN1KMT2A
SCHEMBL5165386 0.84 NLRP3 (0.53) HDAC4ALDH1A1MEN1KMT2ANLRP3
SCHEMBL5163718 0.84 JAK2 (0.49) HDAC4MAPTBCHERAB9AALDH1A1
SCHEMBL5161966 0.83 IDO1 (0.48) MAPTGAAKDM4ERAB9AALDH1A1

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 CYP1A1 137/4885HDAC4 2925/4885MAPT 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.