SCHEMBL7249243

SCHEMBL7249243

C[C@H](O)Nc1cccc(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
DDX3X O00571 2/20 0.50
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GFER P55789 1/20 0.48
RAPGEF4 Q8WZA2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 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
SCHEMBL6225932 1.00 ALDH1A1 (0.52) ALDH1A1DDX3XMAPTMEN1GAA
SCHEMBL21800089 0.84 MEN1 (0.48) ALDH1A1DDX3XMAPTMEN1GAA
SCHEMBL29922510 0.84 MEN1 (0.48) ALDH1A1DDX3XMAPTMEN1GAA
SCHEMBL487356 0.83 ALDH1A1 (0.55) ALDH1A1DDX3XMAPTMEN1GAA
SCHEMBL6557093 0.80 CASP1 (0.49) ALDH1A1DDX3XMAPTMEN1GAA
SCHEMBL14320427 0.79 ALDH1A1 (0.47) ALDH1A1DDX3XMAPTMEN1GAA
SCHEMBL11441110 0.78 ALDH1A1 (0.54) ALDH1A1DDX3XMAPTMEN1GAA
SCHEMBL21799736 0.78 MAPT (0.43) ALDH1A1DDX3XMAPTMEN1GAA
SCHEMBL3992101 0.78 ALDH1A1 (0.54) ALDH1A1DDX3XMAPTMEN1GAA
SCHEMBL9706327 0.78 ALDH1A1 (0.54) ALDH1A1DDX3XMAPTMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6600050-B2 Inorganic and organic acids and agents, containing these compounds, for the oxidative dyeing of fibers such as hair for hair dyes WELLA AG (DE) 2003-07-29 US claimed
US-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 US claimed
US-6600050-B2 Inorganic and organic acids and agents, containing these compounds, for the oxidative dyeing of fibers such as hair for hair dyes WELLA AG (DE) 2003-07-29 US disclosed
US-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 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 (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-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds AOC1, DPYD, PPOX ALDH1A1 128/4885DDX3X 894/4885MAPT 349/4885

“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.