SCHEMBL5154537

SCHEMBL5154537

Oc1nc(-c2ccccc2)c(O)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.45
RXRA P19793 3/20 0.45
RXRB P28702 3/20 0.45
NR4A1 P22736 3/20 0.45
NR4A3 Q92570 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RXRG P48443 2/20 0.42
LMNA P02545 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL11450560 0.81 NR4A2 (0.65) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL5154162 0.79 NR4A2 (0.48) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL5154448 0.79 NR4A2 (0.63) NR4A2MEN1KMT2ALMNAL3MBTL1
SCHEMBL2364161 0.70 NR4A2 (0.45) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL15135221 0.67 MEN1 (0.50) MEN1KMT2ALMNAL3MBTL1MAPK1
SCHEMBL65673 0.67 KMT2A (0.59) MEN1KMT2ALMNAL3MBTL1MAPK1
SCHEMBL19026144 0.67 MEN1 (0.41) NR4A2MEN1KMT2ALMNAL3MBTL1
SCHEMBL10374923 0.65 KDM4E (0.46) MEN1KMT2AL3MBTL1TDP1KDM4E
SCHEMBL2364162 0.65 NPC1 (0.54) MEN1KMT2ALMNAL3MBTL1MAPK1
SCHEMBL14380289 0.65 KMT2A (0.56) MEN1KMT2ALMNAL3MBTL1MAPK1

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-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 NR4A2 4127/4885RXRA 1579/4885RXRB 1596/4885

“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.