SCHEMBL2438562

SCHEMBL2438562

O=C(OCc1ccccc1)[N+]1(CO)CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
APOBEC3A P31941 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
CYP2D6 P10635 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
LMNA P02545 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
TSHR P16473 1/20 0.39
LIPE Q05469 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL5849243 0.86 ALDH1A1 (0.47) KMT2AMEN1NPSR1ALDH1A1TDP1
SCHEMBL7416001 0.72 ALDH1A1 (0.45) KMT2AMEN1NPSR1ALDH1A1TDP1
Dioxane SCHEMBL31315979 0.70 ALDH1A1 (0.76) KMT2AMEN1NPSR1ALDH1A1TDP1
SCHEMBL4167580 0.69 ALDH1A1 (0.49) KMT2AMEN1NPSR1ALDH1A1TDP1
SCHEMBL9785319 0.69 ALDH1A1 (0.49) KMT2AMEN1NPSR1ALDH1A1TDP1
Benzyl Carbamate SCHEMBL4649680 0.68 KMT2A (0.54) KMT2AMEN1NPSR1ALDH1A1TDP1
SCHEMBL12677552 0.68 ALDH1A1 (0.47) KMT2AALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL1128419 0.68 ALDH1A1 (0.47) KMT2AMEN1NPSR1ALDH1A1TDP1
SCHEMBL14095609 0.68 KMT2A (0.97) KMT2AMEN1NPSR1ALDH1A1L3MBTL1
SCHEMBL4160510 0.68 ALDH1A1 (0.47) KMT2AMEN1NPSR1ALDH1A1TDP1

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
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 KMT2A 344/4885MEN1 1582/4885NPSR1 686/4885

“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.