SCHEMBL3085557

SCHEMBL3085557

CCOC(C)OCC.N#Cc1cccc(C=O)c1F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ERN1 O75460 1/20 0.31
NOTUM Q6P988 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL5381815 0.82 ERN1 (0.42) LMNAALDH1A1ERN1NOTUM
SCHEMBL29952034 0.82 ERN1 (0.42) LMNAALDH1A1ERN1NOTUM
Ortho-Phthalaldehyde SCHEMBL2474511 0.76 LMNA (0.52) LMNAALDH1A1GAAL3MBTL1ERN1
SCHEMBL2543778 0.70 CYP1A2 (0.41) LMNAALDH1A1GAAL3MBTL1ERN1
Alcohol SCHEMBL27806922 0.70 MEN1 (0.43) LMNAALDH1A1GAAL3MBTL1ERN1
SCHEMBL19715842 0.69 PDCD1 (0.49)
SCHEMBL11323911 0.69 LMNA (0.40) LMNAALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL6918730 0.69 LMNA (0.40) LMNAALDH1A1GAAERN1SMN1; SMN2
Salicyladehyde SCHEMBL6903346 0.69 TRIM24 (0.60) LMNAALDH1A1ERN1SMN1; SMN2
SCHEMBL3905460 0.69 LMNA (0.40) LMNAALDH1A1GAAL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114948-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2014-06-25 EP disclosed
US-7790721-B2 Pyrroloquinoxalinone inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
EP-2114948-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE Abbott Laboratories (US) 2009-11-11 EP disclosed
WO-2008082887-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
US-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 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-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 LMNA 688/4885ALDH1A1 1358/4885GAA 565/4885

“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.