SCHEMBL19940971

SCHEMBL19940971

O=C(O)c1cc2ccccc2c(N=Nc2ccccc2S(=O)(=O)O)c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 5/20 0.72
▸ CYP1A2 P05177 5/20 0.69
▸ ALDH1A1 P00352 4/20 0.69
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ POLB P06746 3/20 0.62
▸ MAPT P10636 2/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ CYP2D6 P10635 1/20 0.58
▸ MAPK1 P28482 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ IDO1 P14902 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ CASP6 P55212 1/20 0.57
▸ CTDSP1 Q9GZU7 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ MITF O75030 1/20 0.56
▸ HIF1A Q16665 4/20 0.54

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
SCHEMBL24358416 0.92 MPL (0.68) MPLCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL3346242 0.88 CYP1A2 (0.73) MPLCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL29362512 0.87 ALDH1A1 (0.72) MPLCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL29932227 0.87 ALDH1A1 (0.72) MPLCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL92057 0.87 ALDH1A1 (0.72) MPLCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL1161501 0.87 ALDH1A1 (0.72) MPLCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL3184580 0.86 ALDH1A1 (0.71) MPLCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL5786859 0.86 ALDH1A1 (0.71) MPLCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL1435737 0.86 ALDH1A1 (0.71) MPLCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL1435734 0.86 ALDH1A1 (0.71) MPLCYP1A2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065073-A1 PROCESS FOR MAKING SOLID PARTICLES THE PROCTER & GAMBLE COMPANY 2018-03-08 — — 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-20180065073-A1 PROCESS FOR MAKING SOLID PARTICLES FUS, AUP1, NUP205 MPL 3974/4885CYP1A2 4011/4885ALDH1A1 4779/4885

“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.

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