SCHEMBL5164585

SCHEMBL5164585

CN(C)c1ccccc1NC(=O)Cc1cc(O)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.53
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC3 O15379 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.40
HDAC4 P56524 4/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
HDAC1 Q13547 3/20 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
SCHEMBL5164555 0.83 HPGD (0.55) KDM4EALDH1A1HSD17B10HDAC3POLB
SCHEMBL5163222 0.83 MAPT (0.53) KDM4EALDH1A1HSD17B10HDAC3MEN1
SCHEMBL5161574 0.81 KCNQ2 (0.54) KCNQ2ALDH1A1TDP1HDAC3POLB
SCHEMBL5159762 0.81 KMT2A (0.51) KDM4EALDH1A1HSD17B10TDP1MEN1
SCHEMBL5163655 0.81 RAB9A (0.48) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL5162715 0.81 KMT2A (0.50) KCNQ2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5160096 0.80 ALDH1A1 (0.60) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL5162988 0.78 POLB (0.50) KDM4EALDH1A1HDAC3MEN1KMT2A
SCHEMBL5162130 0.78 GAA (0.50) KDM4EALDH1A1TDP1HDAC3MEN1
SCHEMBL3815239 0.77 CYP1A2 (0.53) HDAC3MEN1KMT2AHDAC4HDAC1

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-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US claimed
EP-1762218-A1 4-aminophenol derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-14 EP claimed
WO-2007026313-A2 4-AMINOPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO claimed
US-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US disclosed
EP-1762218-A1 4-aminophenol derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-14 EP disclosed
WO-2007026313-A2 4-AMINOPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO 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-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds KRT18, S100A4, CKAP4 KCNQ2 743/4885KDM4E 251/4885ALDH1A1 309/4885

“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.