SCHEMBL9894083

SCHEMBL9894083

CCOC(=O)C1(O)CN(c2cc(Cl)ccc2C)C(c2ccc(C)cc2)=N1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 3/20 0.40
GABRB2 P47870 3/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 7/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
TP53 P04637 3/20 0.36
MDM2 Q00987 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9893922 0.92 MDM2 (0.44) GABRA2GABRB2KMT2AMEN1MAPT
SCHEMBL1437489 0.92 MEN1 (0.40) GABRA2GABRB2KMT2AMEN1MAPT
SCHEMBL1437351 0.89 MDM2 (0.47) GABRA2GABRB2KMT2AMEN1MAPT
SCHEMBL10002390 0.86 MDM2 (0.39) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL1437624 0.85 GSK3B (0.41) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL1437585 0.82 MAPT (0.42) KMT2AMEN1MAPTMDM2SMN1; SMN2
SCHEMBL1437524 0.81 MDM2 (0.40) GABRA2GABRB2KMT2AMEN1MAPT
SCHEMBL1437246 0.80 MEN1 (0.40) KMT2AMEN1MAPTHTTTP53
SCHEMBL1437580 0.77 MAPT (0.43) KMT2AMEN1MAPTTP53SMN1; SMN2
SCHEMBL1440045 0.77 GABRA2 (0.47) GABRA2GABRB2KMT2AMEN1MAPT

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 GABRA2 4293/4885GABRB2 4278/4885KMT2A 1512/4885

“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.