SCHEMBL4287730

SCHEMBL4287730

[CH2]/C=N/N=C1\NC(=O)C(CC(=O)O)S1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
MAPT P10636 4/20 0.60
TDP1 Q9NUW8 4/20 0.59
GAA P10253 3/20 0.59
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
ALOX5 P09917 1/20 0.53
PIM1 P11309 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
PIM2 Q9P1W9 1/20 0.53
POLB P06746 2/20 0.49
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
MEN1 O00255 2/20 0.45
CTDSP1 Q9GZU7 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4287734 1.00 KDM4E (0.60) KDM4EMAPTTDP1GAATSHR
SCHEMBL31494164 0.80 POLB (0.75) KDM4EMAPTTDP1GAAALOX5
SCHEMBL31494180 0.77 GAA (0.76) KDM4EMAPTTDP1GAAALOX5
SCHEMBL14426647 0.73 KDM4E (0.50) KDM4EMAPTTDP1GAATSHR
SCHEMBL31310584 0.72 ALDH1A1 (0.66) KDM4EMAPTTDP1GAAALOX5
SCHEMBL594367 0.71 KDM4E (1.00) KDM4EMAPTTDP1GAATSHR
SCHEMBL31494162 0.70 POLB (0.76) KDM4EMAPTTDP1GAAALOX5
SCHEMBL6228925 0.70 KDM4E (0.51) KDM4EMAPTTDP1GAATSHR
SCHEMBL31494179 0.70 MEN1 (0.66) KDM4EMAPTTDP1GAAALOX5
SCHEMBL20471147 0.70 KDM4E (0.64) KDM4EMAPTTDP1GAAALOX5

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-20090175805-A1 Neuraminidase Inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-07-09 US claimed
WO-2008054475-A2 NEURAMINIDASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-05-08 WO claimed
US-20090175805-A1 Neuraminidase Inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-07-09 US disclosed
WO-2008054475-A2 NEURAMINIDASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-05-08 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-20090175805-A1 Neuraminidase Inhibitors and uses thereof ENGASE, NEU1, NEU2 KDM4E 2155/4885MAPT 4699/4885TDP1 822/4885

“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.