SCHEMBL9893913

SCHEMBL9893913

CCOC(=O)c1nc(CC(C)C)n(-c2cccc(Cl)c2)c1-c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.51
GABRA2 P47869 3/20 0.51
GABRB2 P47870 3/20 0.51
ALDH1A1 P00352 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR1H2 P55055 1/20 0.43
HTT P42858 1/20 0.43
ELANE P08246 1/20 0.41
CHRNA7 P36544 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
HPGD P15428 1/20 0.41
ADORA1 P30542 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
SCHEMBL9894249 0.86 MDM2 (0.65) MDM2GABRA2GABRB2ALDH1A1KDM4E
SCHEMBL9893786 0.86 MDM2 (0.51) MDM2GABRA2GABRB2ALDH1A1TRPM8
SCHEMBL1436909 0.85 ALDH1A1 (0.43) MDM2GABRA2GABRB2ALDH1A1KDM4E
SCHEMBL1437506 0.85 ALDH1A1 (0.48) GABRA2GABRB2ALDH1A1TRPM8KDM4E
SCHEMBL1436848 0.85 MDM2 (0.55) MDM2GABRA2GABRB2ALDH1A1TRPM8
SCHEMBL9893742 0.84 MDM2 (0.72) MDM2GABRA2GABRB2ALDH1A1TRPM8
SCHEMBL9893745 0.84 MDM2 (0.48) MDM2GABRA2GABRB2DRD1DRD5
SCHEMBL9894023 0.83 MDM2 (0.50) MDM2GABRA2GABRB2DRD1DRD5
SCHEMBL1437112 0.80 MDM2 (0.66) MDM2GABRA2GABRB2ALDH1A1TRPM8
SCHEMBL9893969 0.80 GABRA2 (0.47) MDM2GABRA2GABRB2ALDH1A1TRPM8

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 MDM2 2/4885GABRA2 4293/4885GABRB2 4278/4885

“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.