SCHEMBL3311256

SCHEMBL3311256

COc1c(N)ccc(N2CCN(C(C)=O)CC2)c1C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
USP2 O75604 1/20 0.47
CASP6 P55212 1/20 0.47
GFER P55789 1/20 0.47
LMNA P02545 4/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVR1 Q04771 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NCF1 P14598 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3316445 0.89 ALDH1A1 (0.49) ALDH1A1USP2CASP6GFERLMNA
SCHEMBL3309920 0.85 ALDH1A1 (0.55) ALDH1A1USP2CASP6GFERLMNA
SCHEMBL3315976 0.84 ALDH1A1 (0.60) ALDH1A1CASP6GFERLMNAMAPT
SCHEMBL3316035 0.82 LMNA (0.49) ALDH1A1USP2CASP6GFERLMNA
SCHEMBL3309164 0.79 MAPT (0.49) ALDH1A1LMNAMAPTMAPK1HTT
SCHEMBL2205218 0.77 TGFBR1 (0.41) ALDH1A1LMNAMAPTNPSR1MAPK1
SCHEMBL3312656 0.77 ALDH1A1 (0.72) ALDH1A1CASP6GFERLMNAMAPT
SCHEMBL3347067 0.76 MEN1 (0.35) ALDH1A1GFERLMNAMAPTNPSR1
SCHEMBL24196352 0.74 ALDH1A1 (0.56) ALDH1A1USP2CASP6GFERLMNA
SCHEMBL17021420 0.73 MAPT (0.41) ALDH1A1LMNAMAPTNPSR1MAPK1

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-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS ALDH1A1 649/4885USP2 4534/4885CASP6 2309/4885

“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.