SCHEMBL6449991

SCHEMBL6449991

Cn1c(CN(CC=O)C(=O)OCC2c3ccccc3-c3ccccc32)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37
DRD2 P14416 2/20 0.37
GRM2 Q14416 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 2/20 0.37
RECQL P46063 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL1058237 0.85 USP2 (0.40) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL1058529 0.79 ALDH1A1 (0.39) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL2906720 0.79 MAPT (0.39) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL1058528 0.79 MAPT (0.39) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL3801396 0.78 RECQL (0.38) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL2909929 0.78 HDAC6 (0.54) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL2435292 0.77 MAPT (0.38) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL1058524 0.77 MAPT (0.38) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL2435295 0.76 MAPT (0.37) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL2438216 0.76 MAPT (0.37) USP2SMN1; SMN2ALDH1A1HDAC6MAPT

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-20050131042-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 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-20050131042-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP USP2 707/4885SMN1; SMN2 4444/4885ALDH1A1 2920/4885

“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.