SCHEMBL9893919

SCHEMBL9893919

CCOC(=O)C1(O)CN(c2cccc(Cl)c2)C(CC(C)C)=N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
CASP3 P42574 1/20 0.38
SLC26A6 Q9BXS9 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL1437578 0.85 SMN1; SMN2 (0.45) SMN1; SMN2HTTALDH1A1MAPTPOLB
SCHEMBL9893887 0.84 CYP1A2 (0.46) SMN1; SMN2HTTALDH1A1MAPTPOLB
SCHEMBL1440045 0.80 GABRA2 (0.47) SMN1; SMN2HTTALDH1A1MAPTPOLB
SCHEMBL1438204 0.78 SMN1; SMN2 (0.42) SMN1; SMN2HTTALDH1A1MAPTPOLB
SCHEMBL9894376 0.77 SMN1; SMN2 (0.41) SMN1; SMN2HTTALDH1A1MAPTPOLB
SCHEMBL1437580 0.74 MAPT (0.43) SMN1; SMN2ALDH1A1MAPTPOLBTP53
SCHEMBL1437691 0.73 OPRM1 (0.39) SMN1; SMN2HTTALDH1A1MAPTPOLB
SCHEMBL4893179 0.70 POLB (0.39) SMN1; SMN2HTTALDH1A1MAPTPOLB
SCHEMBL1437246 0.70 MEN1 (0.40) SMN1; SMN2HTTMAPTPOLBTP53
SCHEMBL5359284 0.69 CNR1 (0.42) SMN1; SMN2MAPTPOLBKDM4E

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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 SMN1; SMN2 886/4885HTT 82/4885ALDH1A1 4361/4885

“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.