SCHEMBL6288489

SCHEMBL6288489

Nc1c(-c2ccccc2)[nH]n2c(CCO)nnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.35
MAT2A P31153 4/20 0.32
MAPT P10636 1/20 0.32
PSD A5PKW4 1/20 0.32
MAPK1 P28482 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
BRD4 O60885 1/20 0.30
NR1I2 O75469 1/20 0.30
SMARCA2 P51531 1/20 0.30
SMARCA4 P51532 1/20 0.30

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
SCHEMBL6287302 0.87 KDM4E (0.37) KDM4EALDH1A1HPGDNPC1GAA
SCHEMBL6287808 0.83 MAT2A (0.41) KDM4EALDH1A1HPGDNPC1GAA
SCHEMBL6282880 0.76 KMT2A (0.44) KDM4EALDH1A1HPGDNPC1GAA
SCHEMBL6284617 0.76
SCHEMBL6285813 0.75 MAT2A (0.40) KDM4EALDH1A1HPGDNPC1GAA
SCHEMBL6286040 0.73
SCHEMBL6285899 0.71 KDM4E (0.36) KDM4EALDH1A1HPGDNPC1GAA
SCHEMBL6284077 0.71 ALDH1A1 (0.45) KDM4EALDH1A1HPGDNPC1GAA
SCHEMBL6286155 0.71 KDM4E (0.36) KDM4EALDH1A1HPGDNPC1GAA
SCHEMBL2265140 0.69 KDM4E (0.44) KDM4EALDH1A1HPGDNPC1GAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923929-B1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-AZOLE COMPOUNDS, USE THEREOF AS OXIDATION AGENTS, AND DYEING METHOD; PYRAZOLOAZOLES OREAL (FR) 2004-05-12 EP claimed
US-20020152558-A1 Compositions for dyeing keratinous fibers comprising pyrazoloazoles; their use in dyeing as oxidation base and dyeing process; and novel pyrazoloazoles L'OREAL 2002-10-24 US claimed
US-6379397-B2 CAPABLE OF GENERATING INTENSE COLORINGS IN VARIED SHADES L'OREAL S.A. (FR) 2002-04-30 US claimed
US-6855827-B2 Compositions for dyeing keratinous fibers comprising pyrazoloazoles; their use in dyeing as oxidation base and dyeing process; and novel pyrazoloazoles L'ORÉAL (FR) 2005-02-15 US disclosed
US-20020152558-A1 Compositions for dyeing keratinous fibers comprising pyrazoloazoles; their use in dyeing as oxidation base and dyeing process; and novel pyrazoloazoles L'OREAL 2002-10-24 US disclosed
US-6379397-B2 CAPABLE OF GENERATING INTENSE COLORINGS IN VARIED SHADES L'OREAL S.A. (FR) 2002-04-30 US disclosed
US-20020007520-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBERS COMPRISING PYRAZOLOAZOLES; THEIR USE IN DYEING AS OXIDATION BASE AND DYEING PROCESS; AND NOVEL PYRAZOLOAZOLES L'OREAL S.A. (FR) 2002-01-24 US 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 (2 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-20020007520-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBERS COMPRISING PYRAZOLOAZOLES; THEIR USE IN DYEING AS OXIDATION BASE AND DYEING PROCESS; AND NOVEL PYRAZOLOAZOLES KRT18, ZYX, TUBB3 KDM4E 1907/4885ALDH1A1 264/4885HPGD 806/4885
US-20020152558-A1 Compositions for dyeing keratinous fibers comprising pyrazoloazoles; their use in dyeing as oxidation base and dyeing process; and novel pyrazoloazoles KRT18, ZYX, TUBB3 KDM4E 1907/4885ALDH1A1 264/4885HPGD 806/4885

“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.