SCHEMBL9893922

SCHEMBL9893922

CCOC(=O)C1(O)CN(c2cc(Cl)ccc2C)C(c2ccccc2)=N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
USP2 O75604 1/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL9894083 0.92 GABRA2 (0.40) MDM2ADORA3GABRA2GABRB2MEN1
SCHEMBL1437351 0.91 MDM2 (0.47) MDM2ADORA3GABRA2GABRB2MEN1
SCHEMBL1437489 0.90 MEN1 (0.40) MDM2ADORA3GABRA2GABRB2MEN1
SCHEMBL1437624 0.89 GSK3B (0.41) MDM2ADORA3MEN1KMT2AMAPT
SCHEMBL1440045 0.85 GABRA2 (0.47) MDM2ADORA3GABRA2GABRB2MEN1
SCHEMBL1437585 0.84 MAPT (0.42) MDM2ADORA3MEN1KMT2ASMN1; SMN2
SCHEMBL1437656 0.84 ADORA3 (0.37) ADORA3GABRA2GABRB2SMN1; SMN2MAPT
SCHEMBL1437524 0.82 MDM2 (0.40) MDM2ADORA3GABRA2GABRB2MEN1
SCHEMBL23027868 0.81 GABRA2 (0.41) GABRA2GABRB2SMN1; SMN2MAPTNPC1
SCHEMBL9893993 0.81 MDM2 (0.43) MDM2GABRA2GABRB2SMN1; SMN2MAPT

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 2/4885ADORA3 1701/4885GABRA2 4293/4885

“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.