SCHEMBL10087271

SCHEMBL10087271

C=C1OB(c2ccc(NC(=O)CCC(=O)NN)cc2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
POLB P06746 2/20 0.36
TP53 P04637 1/20 0.35
CYP1A1 P04798 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.33
CA12 O43570 1/20 0.33
CA4 P22748 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL10087259 0.89 CYP1A1 (0.47) L3MBTL1CA1CA2CA9POLB
SCHEMBL10087260 0.84 CA1 (0.36) CA1CA2CA9POLBTP53
SCHEMBL10087202 0.82 L3MBTL1 (0.53) L3MBTL1CA1CA2CA9POLB
SCHEMBL13578707 0.82 CA1 (0.41) CA1CA2CA9ALDH1A1GAA
SCHEMBL13622824 0.81 SMN1; SMN2 (0.42) L3MBTL1CA1CA2CA9POLB
SCHEMBL13474635 0.74 LPL (0.38) CA1CA2CA9CA12CA4
SCHEMBL13100287 0.73 CA1 (0.36) CA1CA2CA9ALDH1A1CA12
SCHEMBL10382417 0.73 ALDH1A1 (0.51) POLBTP53ALDH1A1HTTHPGD
SCHEMBL12350707 0.72 MAP4K4 (0.40) L3MBTL1ALDH1A1HTTHPGDGAA
SCHEMBL12350692 0.72 NAMPT (0.37) L3MBTL1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114381-B2 Radiolabeled compounds and compositions, their precursors and methods for their production THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-02-14 US disclosed
US-20080038191-A1 Radiolabeled Compounds And Compositions, Their Precursors And Methods For Their Production THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-02-14 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-20080038191-A1 Radiolabeled Compounds And Compositions, Their Precursors And Methods For Their Production GMNN, MEN1, NCLN L3MBTL1 2348/4885CA1 441/4885CA2 1568/4885

“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.